| SpectraBase Spectrum ID |
12O1eAVPPTl |
| Name |
Heptyl mercaptan |
| CAS Registry Number |
1639-09-4 |
| 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 |
132.097271689 u |
| Formula |
C7H16S |
| InChI |
InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChIKey |
VPIAKHNXCOTPAY-UHFFFAOYSA-N |
| Molecular Weight |
132.265 g/mol |
| Number of Peaks |
50 |
| RI1 |
928 |
| RI2 |
707 |
| RI3 |
652 |
| RI4 |
610 |
| SMILES |
SCCCCCCC |
| SPLASH |
splash10-0abc-9000000000-8d209e12b45a1e136a48 |
| 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-Heptanethiol |
| Wiley ID |
LM_FFNSC3_3115 |
