Question

need to identify labeling peaks, assignment peaks, integration, chemical shifts, TMS, CDCl3, and multiplicity along with the correct structural isomer! thank you very much!

empiracle formula C8H8O

ExpS NHR EXPERIMENT 05/14/2019 JPeS Splttim 105M沁な С hemrcal Shift ta H3 つ45 Exp5 NKR EXPERIMENT 05/14/2019 3.0 2.5 2.0 1.5 1.0 0.5 (ppm) Exp5 NMR EXPERIMENT 05/14/2019 ppm) 10 Possible isomers НН 2-methylbenzaldehyde 3-methylbenzaldehyde НН xps NMR EXPERIMENT 05/14/2019 3.0 2.5 2.0 1.5 1.0 0.5 (ppm] tuss= l20.ISg Imol( Exps NHR EXPERIMENT 05/14/2019 coho spi tHim A la chemcal Shif+ 4 ppm) THS bor ng hakgens Aromahts Zahr nnr 11 c:idatalchem227s19 sm Exp5 NMR EXPERIMENT 05/14/2019 9.A.}elose.wiai spliWm) cemcal Shif to H个 [ppm) 12 bor ng Aromahes haloaens M 2.4644 M 2.4462 3.2154 0./964 0.5 [ppm 1.0 1.5 2.0 /7420L9 ppm) 10 Exp5 NMR EXPERIMENT 05/14/2019 01 33 50 50 53 19 99 87 8399901 0800016 6319758 4443332 doublet 19 2 41 0

Answer 1

Molecular formula CgHgo Mw 120.1S 05/14/2019 1 HNMR shows a 3H, singlet at 2.4 ppm which indicates presence of aromatic CH3 group. It also shows two set of doublets at 7.4 ppm and 7.8 ppm . This A2B2 pattern clearly indicate that it is a para substituted aromatic ring. oreover, a singlet at 9.87ppm indicates presence aldehyde (-CHO group All these information suggests below structure 0 78, 2H, d 24 9.87 1H, S 7.4 2H, d Impurity CH 4-Methyl-benzaldehyde bor ng