| SpectraBase Spectrum ID |
LjpOeQx6i8I |
| Name |
p-Toluenesulfonic acid |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
172.019415289 u |
| Formula |
C7H8O3S |
| InChI |
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
| InChIKey |
JOXIMZWYDAKGHI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.198 g/mol |
| Nominal Mass |
172 u |
| Quality |
975 |
| Retention Index |
1185 |
| SMILES |
OS(C=1C=CC(=CC1)C)(=O)=O |
| SPLASH |
splash10-052f-9400000000-b25676730345ab89fb27 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylbenzene-1-sulfonic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032346 |
