| SpectraBase Spectrum ID |
JIL11WoOlk0 |
| Name |
Ethyl-3-methyl benzoate |
| CAS Registry Number |
120-33-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); 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 |
990 |
| Retention Index |
1285 |
| SMILES |
C=1(C(OCC)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014l-7900000000-7fa352f77bd3c5e99c08 |
| 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_001366 |
