| SpectraBase Spectrum ID |
3ci5vEKadl7 |
| Name |
n-Butyl isothiocyanate |
| CAS Registry Number |
592-82-5 |
| 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 |
115.045570468 u |
| Formula |
C5H9NS |
| InChI |
InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3 |
| InChIKey |
LIMQQADUEULBSO-UHFFFAOYSA-N |
| Molecular Weight |
115.194 g/mol |
| Number of Peaks |
50 |
| RI1 |
1001 |
| RI2 |
671 |
| RI5 |
964 |
| SMILES |
CCCCN=C=S |
| SPLASH |
splash10-05tf-9300000000-267500afd5521ec8235b |
| 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 |
Isothiocyanic acid, butyl ester |
| Wiley ID |
LM_FFNSC3_946 |
