| SpectraBase Spectrum ID |
5XffPbuMORc |
| Name |
Benzoic acid,4-methyl-,propyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey |
LRNBWFXCDULFQF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
970 |
| Retention Index |
1283 |
| SMILES |
C=1(C(OCCC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014u-9800000000-2774dff9b70b3a3eefde |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propyl 4-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032449 |
