| SpectraBase Spectrum ID |
2oU7LoqLGZk |
| Name |
4-tert-Butylbenzoic acid |
| CAS Registry Number |
98-73-7 |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) |
| InChIKey |
KDVYCTOWXSLNNI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
989 |
| Retention Index |
1511 |
| SMILES |
OC(C1=CC=C(C(C)(C)C)C=C1)=O |
| SPLASH |
splash10-03di-3900000000-5f4e172d53284d61d7ad |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,p-tert-butyl- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025489 |
