| SpectraBase Spectrum ID |
JI3WqT7CWjg |
| Name |
4-Butylbenzoic acid |
| CAS Registry Number |
20651-71-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13) |
| InChIKey |
JFKUBRAOUZEZSL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
986 |
| Retention Index |
1291 |
| SMILES |
OC(C1=CC=C(C=C1)CCCC)=O |
| SPLASH |
splash10-002u-6900000000-614de052c5027cd272cc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-butylbenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004716 |
