| SpectraBase Spectrum ID |
HKLsAM90kiS |
| Name |
n-Pentanethiol |
| CAS Registry Number |
110-66-7 |
| 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 |
104.065971560 u |
| Formula |
C5H12S |
| InChI |
InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| InChIKey |
ZRKMQKLGEQPLNS-UHFFFAOYSA-N |
| Molecular Weight |
104.211 g/mol |
| Number of Peaks |
50 |
| RI1 |
820 |
| RI2 |
477 |
| RI3 |
502 |
| RI4 |
402 |
| RI5 |
804 |
| SMILES |
SCCCCC |
| SPLASH |
splash10-052f-9100000000-d63c1cad475b81168658 |
| 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-Pentanethiol |
| Wiley ID |
LM_FFNSC3_3113 |
