| SpectraBase Spectrum ID |
KVxAecEWcz2 |
| Name |
Methyl 4-propylbenzoate |
| CAS Registry Number |
6976-69-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-3-4-9-5-7-10(8-6-9)11(12)13-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
RXFJHVNBEFFCJX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
997 |
| Retention Index |
1419 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)CCC |
| SPLASH |
splash10-0002-3900000000-a6d1093816295bb057a6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-propyl-,methyl ester
4-Propylbenzoic acid methyl ester
4-Propylbenzoic-methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030254 |
