| SpectraBase Spectrum ID |
5WXmfd6TIkm |
| Name |
Mercaptan |
| Source of Sample |
SAFC Cat.no. W324000 |
| CAS Registry Number |
137-06-4 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
124.034671432 u |
| Formula |
C7H8S |
| InChI |
InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 |
| InChIKey |
LXUNZSDDXMPKLP-UHFFFAOYSA-N |
| Molecular Weight |
124.201 g/mol |
| Number of Peaks |
50 |
| RI1 |
1074 |
| RI2 |
748 |
| RI3 |
985 |
| RI4 |
940 |
| SMILES |
Sc1ccccc1C |
| SPLASH |
splash10-006x-9300000000-9f7cf65bb719c7457f8b |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzenethiol, 2-methyl- |
| Wiley ID |
LM_FFNSC3_720 |
