SpectraBase Spectrum ID |
8GJkTKdgTJI |
Name |
Ethyl-3-methyl benzoate |
CAS Registry Number |
120-33-2 |
Classification |
Chemical |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
164.083729624 u |
Formula |
C10H12O2 |
InChI |
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 |
InChIKey |
WSJNYOVBJSOQST-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
164.204 g/mol |
Nominal Mass |
164 u |
Quality |
940 |
Retention Index |
1700 |
SMILES |
C=1(C(OCC)=O)C=C(C=CC1)C |
SPLASH |
splash10-014r-8900000000-29586ed1cfb39f2ed487 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Ethyl m-methylbenzoate
m-Toluic acid ethyl ester
Ethyl 3-methyl benzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_017464 |