| SpectraBase Spectrum ID |
5VUpXWi80Rs |
| Name |
Benzoicacidethyl ester |
| CAS Registry Number |
93-89-0 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey |
MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
989 |
| Retention Index |
1163 |
| SMILES |
C1(C(OCC)=O)=CC=CC=C1 |
| SPLASH |
splash10-0a6r-5900000000-1a6d6a1bf807d65517a1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoicacid,ethylester
Ethyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007727 |
