Please determine the IDENTITY of the unknown compound and explain how each peak / data point from the following instruments led to that identification. What does the gcms indicate. Thank you very much! (The GCMS data is just a long set of numbers which is why the question appears so long).
IR of unknown:
NMR unknown Proton Graphs (first is overall graph, others that follow are zoomed in sections):
NMR unknown Carbon Graphs (first is overall graph, others that follow are zoomed in sections):
GC/MS:
Scan 779 (9.910 min): | |
50.1 | 471296 |
51 | 307072 |
52 | 55728 |
53 | 14734 |
54.1 | 1950 |
55.6 | 9285 |
56.1 | 11179 |
57 | 5281 |
58.7 | 859 |
60 | 22792 |
61 | 62344 |
62 | 45040 |
63 | 42648 |
64 | 3236 |
65.1 | 1080 |
66 | 1290 |
66.9 | 479 |
68 | 510 |
69.5 | 5938 |
70.3 | 2657 |
70.8 | 2578 |
71.1 | 2558 |
72 | 22984 |
73 | 128504 |
74 | 418560 |
75 | 735232 |
76.1 | 204416 |
77.1 | 421696 |
78 | 28336 |
79.1 | 1815 |
80 | 342 |
80.9 | 662 |
81.8 | 405 |
83.1 | 3278 |
84 | 52520 |
85 | 118312 |
86 | 41520 |
87 | 42632 |
88 | 6848 |
89.1 | 11487 |
90 | 1273 |
91.1 | 1290 |
91.9 | 597 |
92.9 | 586 |
94.3 | 647 |
94.9 | 1172 |
96 | 2452 |
97 | 6826 |
98 | 1586 |
99 | 2493 |
99.7 | 290 |
101 | 2090 |
102 | 719 |
103 | 4172 |
104 | 33456 |
105.1 | 6865 |
105.9 | 785 |
106.1 | 742 |
106.9 | 922 |
108 | 7934 |
109 | 5270 |
110.1 | 31304 |
111 | 1733632 |
112 | 293248 |
113 | 601984 |
114 | 94688 |
115 | 5098 |
115.9 | 490 |
116.6 | 294 |
116.9 | 323 |
117.3 | 217 |
118.2 | 306 |
118.9 | 517 |
119.3 | 478 |
119.8 | 531 |
120.1 | 436 |
120.8 | 413 |
122 | 625 |
122.9 | 1709 |
124.1 | 644 |
124.9 | 820 |
126 | 549 |
126.5 | 259 |
127.1 | 273 |
127.9 | 341 |
129.2 | 601 |
129.8 | 225 |
130.5 | 176 |
131.3 | 702 |
131.9 | 387 |
132.4 | 246 |
133 | 260 |
133.3 | 244 |
133.9 | 467 |
134.5 | 264 |
135.3 | 354 |
136 | 380 |
137.3 | 1347 |
138.1 | 11128 |
139 | 4053504 |
140 | 2842624 |
141 | 1538048 |
142 | 945984 |
143 | 66432 |
144.1 | 4622 |
145.1 | 566 |
145.7 | 233 |
146.1 | 326 |
147 | 333 |
147.7 | 216 |
148.4 | 247 |
149 | 136 |
150.3 | 115 |
151.1 | 186 |
151.9 | 1430 |
152.9 | 141 |
154.2 | 204 |
154.7 | 208 |
155.3 | 295 |
156.6 | 413 |
157.5 | 135 |
157.9 | 97 |
158.7 | 343 |
159.1 | 305 |
160.7 | 413 |
161.5 | 140 |
162.2 | 301 |
163.1 | 481 |
164.1 | 182 |
164.8 | 413 |
166 | 206 |
166.6 | 126 |
167 | 122 |
167.7 | 189 |
168.2 | 296 |
168.7 | 149 |
169.5 | 206 |
170.5 | 272 |
171.3 | 228 |
171.8 | 214 |
172.7 | 193 |
173.3 | 224 |
174 | 326 |
174.8 | 431 |
175.4 | 305 |
176.1 | 94 |
176.7 | 284 |
177.5 | 248 |
178 | 151 |
179.1 | 175 |
179.5 | 198 |
180.1 | 437 |
180.8 | 396 |
181.1 | 374 |
182.2 | 339 |
183.1 | 119 |
183.6 | 84 |
184.3 | 321 |
185.3 | 369 |
186.3 | 493 |
187.1 | 144 |
187.9 | 358 |
188.3 | 148 |
189 | 317 |
189.6 | 164 |
190.8 | 359 |
191.4 | 191 |
192 | 265 |
192.7 | 231 |
193.2 | 323 |
193.8 | 270 |
195 | 243 |
196.2 | 173 |
196.7 | 22 |
197.6 | 92 |
198 | 58 |
198.8 | 126 |
199.9 | 105 |
200.6 | 194 |
201.9 | 98 |
202.5 | 323 |
203.1 | 367 |
203.7 | 168 |
204.1 | 199 |
205.2 | 287 |
205.6 | 281 |
206.2 | 167 |
206.9 | 2189 |
207.8 | 342 |
208.2 | 577 |
209.1 | 334 |
210.3 | 320 |
211.2 | 340 |
212.4 | 163 |
212.9 | 151 |
213.8 | 106 |
214.9 | 347 |
215.7 | 122 |
216.3 | 192 |
217.2 | 189 |
218 | 237 |
218.5 | 130 |
219.8 | 334 |
220.1 | 310 |
220.6 | 163 |
221.1 | 83 |
221.9 | 92 |
223.1 | 239 |
223.8 | 75 |
225 | 572 |
226.2 | 163 |
227.2 | 19 |
228.1 | 155 |
229 | 153 |
229.8 | 16 |
230.7 | 159 |
231.5 | 195 |
233.1 | 330 |
233.9 | 354 |
234.7 | 287 |
235.7 | 59 |
236.3 | 64 |
237 | 146 |
237.9 | 205 |
238.5 | 71 |
239 | 121 |
240.3 | 206 |
241 | 93 |
241.5 | 164 |
242.1 | 268 |
242.9 | 75 |
243.6 | 90 |
244.8 | 143 |
246.2 | 140 |
246.6 | 124 |
247.3 | 120 |
247.8 | 202 |
249.1 | 208 |
249.8 | 204 |
251.1 | 223 |
251.6 | 195 |
252.1 | 366 |
253.1 | 134 |
254.4 | 184 |
255.3 | 93 |
256.2 | 23 |
257.1 | 54 |
257.6 | 133 |
258.2 | 46 |
258.9 | 265 |
259.9 | 180 |
260.4 | 59 |
261 | 362 |
261.7 | 73 |
263 | 40 |
263.9 | 146 |
264.3 | 102 |
265.1 | 267 |
265.6 | 64 |
266.2 | 337 |
267 | 556 |
267.5 | 128 |
267.9 | 138 |
268.3 | 165 |
268.8 | 130 |
269.3 | 68 |
270.1 | 39 |
270.8 | 292 |
271.5 | 86 |
272.5 | 42 |
273 | 131 |
273.5 | 158 |
274.8 | 166 |
276 | 147 |
276.5 | 156 |
277.1 | 124 |
278.1 | 93 |
278.7 | 74 |
280 | 326 |
280.9 | 746 |
281.6 | 207 |
282.6 | 328 |
284.2 | 168 |
284.8 | 238 |
286.1 | 323 |
286.8 | 115 |
287.3 | 31 |
288.5 | 145 |
289.2 | 171 |
289.8 | 183 |
290.8 | 195 |
292.1 | 199 |
292.9 | 212 |
293.7 | 119 |
294.4 | 102 |
295.2 | 101 |
296.1 | 210 |
297.8 | 183 |
298.4 | 170 |
299.6 | 23 |
300.7 | 239 |
301.2 | 198 |
301.9 | 88 |
302.5 | 140 |
303 | 140 |
303.8 | 223 |
304.7 | 29 |
305.5 | 226 |
306.7 | 259 |
307.6 | 171 |
308.2 | 104 |
309.1 | 200 |
309.8 | 46 |
310.5 | 198 |
311.1 | 58 |
311.8 | 480 |
312.7 | 82 |
313.2 | 27 |
313.9 | 79 |
314.7 | 86 |
315.5 | 161 |
316.6 | 236 |
317.2 | 186 |
317.7 | 31 |
318.3 | 85 |
319.3 | 55 |
319.7 | 84 |
320.6 | 44 |
321.8 | 21 |
322.4 | 18 |
323.3 | 167 |
324.5 | 230 |
325.3 | 120 |
326 | 69 |
326.5 | 65 |
327 | 18 |
327.7 | 245 |
328.3 | 312 |
329 | 171 |
329.5 | 165 |
330.2 | 43 |
331 | 100 |
331.9 | 102 |
332.6 | 72 |
333 | 172 |
333.9 | 94 |
334.4 | 165 |
335.2 | 113 |
336.1 | 83 |
336.6 | 61 |
337.4 | 268 |
338.5 | 25 |
339.7 | 75 |
340.1 | 66 |
340.8 | 227 |
341.6 | 461 |
342.1 | 253 |
342.7 | 114 |
343.5 | 173 |
344 | 214 |
344.7 | 37 |
345.1 | 34 |
345.9 | 171 |
346.4 | 26 |
347.1 | 130 |
348.4 | 30 |
349.8 | 260 |
350 | 259 |
351.3 | 112 |
351.9 | 76 |
352.5 | 152 |
353.3 | 146 |
353.9 | 73 |
354.5 | 100 |
355.1 | 650 |
356 | 251 |
357.2 | 227 |
358.3 | 222 |
359 | 165 |
359.8 | 206 |
360.5 | 19 |
361.1 | 149 |
361.8 | 37 |
362.6 | 16 |
363.3 | 176 |
364.2 | 26 |
365.1 | 112 |
365.6 | 113 |
366.5 | 41 |
367 | 63 |
368.4 | 74 |
369.8 | 287 |
371.6 | 29 |
372.3 | 21 |
372.5 | 21 |
373 | 58 |
373.7 | 187 |
374.3 | 200 |
375.8 | 229 |
377.3 | 176 |
378.1 | 63 |
378.9 | 101 |
379.5 | 120 |
380.2 | 157 |
381.3 | 22 |
382.2 | 17 |
382.8 | 147 |
384 | 71 |
385 | 98 |
385.9 | 117 |
387 | 150 |
387.6 | 30 |
388.4 | 136 |
389.4 | 131 |
390.1 | 209 |
391.2 | 73 |
392 | 215 |
392.5 | 182 |
393 | 120 |
393.7 | 112 |
394 | 114 |
394.9 | 132 |
395.7 | 54 |
396.3 | 113 |
397.3 | 5 |
398 | 18 |
398.7 | 15 |
399.3 | 146 |
399.8 | 149 |
400.5 | 116 |
401.5 | 102 |
402 | 119 |
402.8 | 109 |
404 | 155 |
405.1 | 95 |
405.7 | 9 |
406.3 | 253 |
406.9 | 112 |
407.6 | 64 |
408.1 | 133 |
409.3 | 221 |
409.8 | 145 |
411.2 | 90 |
411.7 | 101 |
412.4 | 154 |
413.2 | 77 |
413.8 | 172 |
414.1 | 155 |
415.5 | 81 |
416.3 | 113 |
417 | 92 |
418.2 | 85 |
418.6 | 63 |
419.5 | 120 |
420.2 | 126 |
421.9 | 99 |
422.9 | 148 |
424 | 93 |
424.7 | 175 |
425.5 | 75 |
426.1 | 110 |
426.8 | 13 |
427.8 | 286 |
428.8 | 103 |
429.2 | 143 |
430.1 | 140 |
430.7 | 17 |
431.1 | 18 |
432.1 | 20 |
433.3 | 91 |
433.9 | 194 |
434.3 | 106 |
434.9 | 173 |
435.7 | 57 |
436 | 51 |
437 | 104 |
438.2 | 143 |
439.3 | 160 |
439.9 | 69 |
440.5 | 57 |
440.9 | 46 |
441.9 | 56 |
442.8 | 44 |
443.4 | 89 |
443.8 | 40 |
444.6 | 211 |
445.1 | 190 |
446.2 | 88 |
447 | 77 |
448.2 | 30 |
448.8 | 131 |
449.7 | 71 |
451.1 | 206 |
451.7 | 24 |
452 | 23 |
452.8 | 129 |
453.5 | 123 |
454.4 | 136 |
455.4 | 22 |
456.1 | 142 |
456.6 | 247 |
457.6 | 25 |
458.3 | 18 |
458.9 | 32 |
459.6 | 73 |
460.2 | 46 |
460.8 | 18 |
461.4 | 21 |
462 | 59 |
462.7 | 262 |
463.4 | 88 |
463.9 | 39 |
464.5 | 130 |
465.2 | 66 |
466.1 | 178 |
467 | 106 |
467.7 | 157 |
468.3 | 136 |
469.2 | 49 |
469.7 | 20 |
470.4 | 110 |
470.8 | 100 |
471.8 | 106 |
472.1 | 118 |
472.7 | 108 |
473.6 | 109 |
474.4 | 146 |
475.2 | 22 |
476 | 20 |
476.8 | 83 |
477.5 | 171 |
478 | 70 |
478.5 | 80 |
479.3 | 190 |
480.2 | 73 |
480.8 | 102 |
481.3 | 74 |
482.1 | 148 |
482.9 | 21 |
483.5 | 17 |
484.3 | 77 |
485.1 | 200 |
486.2 | 15 |
486.7 | 34 |
487.4 | 177 |
488.1 | 93 |
488.6 | 173 |
489.5 | 116 |
490.4 | 52 |
491.2 | 108 |
491.7 | 51 |
492.5 | 65 |
492.9 | 79 |
494.4 | 30 |
495.1 | 20 |
496.1 | 148 |
497.1 | 48 |
498 | 91 |
498.5 | 36 |
499.2 | 208 |
Please determine the IDENTITY of the unknown compound and explain how each peak / data point...
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