| SpectraBase Spectrum ID |
44a4itVNqcf |
| Name |
4-Propylbenzoic acid |
| CAS Registry Number |
2438-05-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12) |
| InChIKey |
ATZHGRNFEFVDDJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
1000 |
| Retention Index |
1583 |
| SMILES |
OC(C1=CC=C(C=C1)CCC)=O |
| SPLASH |
splash10-000i-3900000000-cc582cd312b370cc85d9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-n-Propylbenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022659 |
