| SpectraBase Spectrum ID |
6JZ5t6HbAtf |
| Name |
Hexyl isothiocyanate |
| CAS Registry Number |
4404-45-9 |
| 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/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| InChIKey |
WXYAXKKXIGHXDS-UHFFFAOYSA-N |
| Molecular Weight |
143.248 g/mol |
| Number of Peaks |
50 |
| RI1 |
1201 |
| RI2 |
879 |
| RI3 |
989 |
| RI4 |
947 |
| SMILES |
C(CCCCC)N=C=S |
| SPLASH |
splash10-00kf-9400000000-c6d8381383133e35ff41 |
| 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 |
Hexane, 1-isothiocyanato |
| Wiley ID |
LM_FFNSC3_3109 |
