| SpectraBase Spectrum ID |
KXruSNlBNTb |
| Name |
Isothiocyanate <4-(methylthio)butyl-> |
| CAS Registry Number |
4430-36-8 |
| 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 |
161.033291706 u |
| Formula |
C6H11NS2 |
| InChI |
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3 |
| InChIKey |
IHQDGXUYTSZGOG-UHFFFAOYSA-N |
| Molecular Weight |
161.281 g/mol |
| Number of Peaks |
50 |
| RI1 |
1433 |
| RI2 |
1112 |
| SMILES |
C(CCCSC)N=C=S |
| SPLASH |
splash10-03xr-9500000000-a8a62dcca002dc529477 |
| 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 |
Butane, 1-isothiocyanato-4-(methylthio)- |
| Wiley ID |
LM_FFNSC3_1821 |
