| SpectraBase Spectrum ID |
JHbsc5TPZtw |
| Name |
4-Isopropylbenzoic acid |
| CAS Registry Number |
536-66-3 |
| Classification |
Chemical |
| 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 © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey |
CKMXAIVXVKGGFM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
979 |
| Retention Index |
1331 |
| SMILES |
OC(C=1C=CC(C(C)C)=CC1)=O |
| SPLASH |
splash10-0002-3900000000-85bd954f4c96bb4b6f14 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-(1-methylethyl)-
4-(1-Methylethyl)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025498 |
