| SpectraBase Spectrum ID |
Do8vVXfA7lY |
| Name |
p-Toluic acid |
| CAS Registry Number |
99-94-5 |
| 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 |
136.052429496 u |
| Formula |
C8H8O2 |
| InChI |
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey |
LPNBBFKOUUSUDB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
136.150 g/mol |
| Nominal Mass |
136 u |
| Quality |
999 |
| Retention Index |
1260 |
| SMILES |
OC(C1=CC=C(C=C1)C)=O |
| SPLASH |
splash10-00ko-9700000000-4b491cbe38633ca59b00 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-methyl
4-Methylbenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024274 |
