| SpectraBase Spectrum ID |
Bh0W0bhs8WK |
| Name |
Isothiocyanate <3-butenyl-> |
| CAS Registry Number |
3386-97-8 |
| 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 |
113.029920403 u |
| Formula |
C5H7NS |
| InChI |
InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2 |
| InChIKey |
SKIHGKNFJKJXPX-UHFFFAOYSA-N |
| Molecular Weight |
113.178 g/mol |
| Number of Peaks |
49 |
| RI1 |
978 |
| RI2 |
651 |
| SMILES |
C(CC=C)N=C=S |
| SPLASH |
splash10-0229-9300000000-8b629a29c98da0cf6cf4 |
| 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-Butene, 4-isothiocyanato- |
| Wiley ID |
LM_FFNSC3_1819 |
