Methyl phenylacetate(101-41-7) Raman
Product NameMethyl phenylacetate
CAS101-41-7
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey CRZQGDNQQAALAY-UHFFFAOYSA-N
SmilesC1(CC(OC)=O)=CC=CC=C1
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MassMS-NW-0013 methyl phenylacetate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 200 °C Sample Temperature: 65 °C Reservoir, 75 eV
15.0 3.4 18.0 3.6 28.0 1.1 31.0 1.1 38.0 1.0 39.0 5.8 41.0 1.7 45.5 1.4 50.0 1.3 51.0 2.9 59.0 6.5 62.0 1.3 63.0 3.7 64.0 1.2 65.0 12.2 77.0 1.0 89.0 3.7 90.0 2.7 91.0 100.0 92.0 8.0 105.0 1.2 118.0 1.3 119.0 2.7 150.0 33.1 151.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.04 ml : 0.5 ml CDCl3 methyl phenylacetate 
Assign. Shift(ppm)
A 7.36 to 7.17 B 3.653 C 3.600
Hz ppm Int.653.44 7.297 55 651.06 7.270 861 647.31 7.228 36 327.13 3.653 1000 322.44 3.601 428
in CDCl3
liquid film
4880 A,200 M,liquid
