| SpectraBase Spectrum ID |
67hu3IUtF0d |
| Name |
Allyl isopropyl sulfide |
| CAS Registry Number |
33922-70-2 |
| 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 |
116.065971560 u |
| Formula |
C6H12S |
| InChI |
InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3 |
| InChIKey |
OJBPXSILEFOOQD-UHFFFAOYSA-N |
| Molecular Weight |
116.222 g/mol |
| Number of Peaks |
50 |
| RI1 |
870 |
| RI2 |
533 |
| SMILES |
C=CCSC(C)C |
| SPLASH |
splash10-00dm-9100000000-e77e3012e5a5abcac071 |
| 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-Propene, 3-[(1-methylethyl)thio]- |
| Wiley ID |
LM_FFNSC3_1858 |