| SpectraBase Spectrum ID |
yx4BzIb55H |
| Name |
Isothiocyanate <4-methylpentyl-> |
| CAS Registry Number |
17608-07-0 |
| 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 |
143.076870597 u |
| Formula |
C7H13NS |
| InChI |
InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3 |
| InChIKey |
CZWUENKYXFGDIG-UHFFFAOYSA-N |
| Molecular Weight |
143.248 g/mol |
| Number of Peaks |
46 |
| RI1 |
1158 |
| RI2 |
835 |
| SMILES |
C(CCC(C)C)N=C=S |
| SPLASH |
splash10-0006-9200000000-087e2b0241114fb717ed |
| 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 |
Pentane, 1-isothiocyanato-4-methyl- |
| Wiley ID |
LM_FFNSC3_1820 |
