| SpectraBase Spectrum ID |
Hn2aXiLJ2n4 |
| Name |
Mercaptan |
| Source of Sample |
SAFC Cat.no. W389404 |
| CAS Registry Number |
4410-99-5 |
| 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 |
138.050321496 u |
| Formula |
C8H10S |
| InChI |
InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey |
ZMRFRBHYXOQLDK-UHFFFAOYSA-N |
| Molecular Weight |
138.228 g/mol |
| Number of Peaks |
50 |
| RI1 |
1180 |
| RI2 |
858 |
| RI3 |
1083 |
| RI4 |
1039 |
| RI5 |
1149 |
| SMILES |
SCCc1ccccc1 |
| SPLASH |
splash10-0006-9200000000-27eccdc2dc662839cb69 |
| 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 |
Benzeneethanethiol |
| Wiley ID |
LM_FFNSC3_259 |
