| SpectraBase Spectrum ID |
8FuyML6eqbw |
| Name |
Ethyl-4-methyl benzoate |
| CAS Registry Number |
94-08-6 |
| 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)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey |
NWPWRAWAUYIELB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
979 |
| Retention Index |
1295 |
| SMILES |
C=1(C(OCC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014i-5900000000-098d7cf860dd5761a3f5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl p-methyl benzoate
p-Toluic acid ethyl ester
Ethyl 4-methylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022425 |
