| SpectraBase Spectrum ID |
9fOJL9pg5H6 |
| Name |
Mercaptan |
| Source of Sample |
SAFC Cat.no. 234192 |
| CAS Registry Number |
111-31-9 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
118.081621625 u |
| Formula |
C6H14S |
| InChI |
InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChIKey |
PMBXCGGQNSVESQ-UHFFFAOYSA-N |
| Molecular Weight |
118.238 g/mol |
| Number of Peaks |
50 |
| RI1 |
921 |
| RI2 |
600 |
| RI3 |
535 |
| RI4 |
484 |
| RI5 |
907 |
| SMILES |
SCCCCCC |
| SPLASH |
splash10-0aou-9000000000-4eb4b85a0f2db5de7f71 |
| 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 |
1-Hexanethiol |
| Wiley ID |
LM_FFNSC3_216 |
