| SpectraBase Spectrum ID |
LIUbR9BeFd3 |
| Name |
Mercaptan |
| Source of Sample |
SAFC Cat.no. W387401 |
| CAS Registry Number |
513-44-0 |
| 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 |
90.050321496 u |
| Formula |
C4H10S |
| InChI |
InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| InChIKey |
BDFAOUQQXJIZDG-UHFFFAOYSA-N |
| Molecular Weight |
90.184 g/mol |
| Number of Peaks |
47 |
| RI1 |
697 |
| RI3 |
360 |
| RI4 |
335 |
| SMILES |
SCC(C)C |
| SPLASH |
splash10-0006-9000000000-331940d3255396f88ce8 |
| 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-Propanethiol, 2-methyl- |
| Wiley ID |
LM_FFNSC3_453 |
