| SpectraBase Spectrum ID |
8J6pPFji7Ae |
| Name |
4-Methyl-benzenethiol |
| CAS Registry Number |
108-40-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
124.034671432 u |
| Formula |
C7H8S |
| InChI |
InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 |
| InChIKey |
WLHCBQAPPJAULW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
124.201 g/mol |
| Nominal Mass |
124 u |
| Quality |
861 |
| Retention Index |
1064 |
| SMILES |
C1(=CC=C(C=C1)C)S |
| SPLASH |
splash10-0006-9100000000-37bb599d4a01e173c974 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylbenzene-1-thiol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019295 |
