| SpectraBase Spectrum ID |
xRCoBZTP8 |
| Name |
Benzoic acid propyl ester |
| CAS Registry Number |
2315-68-6 |
| Classification |
Food additive, flavoring agent |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey |
UDEWPOVQBGFNGE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
921 |
| Retention Index |
1304 |
| SMILES |
C=1(C(OCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-0ab9-6900000000-1941bf4070c7fb1fbd7d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoicacid,propylester
Propyl benzenecarboxylate
n-Propyl benzoate
Propyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009765 |
