| SpectraBase Spectrum ID |
D0ZxPrXLjlP |
| Name |
Benzyl isothiocyanate |
| CAS Registry Number |
622-78-6 |
| 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 |
149.029920403 u |
| Formula |
C8H7NS |
| InChI |
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey |
MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Molecular Weight |
149.211 g/mol |
| Number of Peaks |
50 |
| RI1 |
1372 |
| RI2 |
1052 |
| RI3 |
1476 |
| RI4 |
1437 |
| RI5 |
1327 |
| SMILES |
C(c1ccccc1)N=C=S |
| SPLASH |
splash10-0006-9100000000-5353cd6c56f38abc454b |
| 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 |
Benzene, (isothiocyanatomethyl)- |
| Wiley ID |
LM_FFNSC3_2989 |
