| SpectraBase Spectrum ID |
5uC3AmtLbnv |
| Name |
Isothiocyanate |
| Source of Sample |
SAFC Cat.no. W401404 |
| CAS Registry Number |
2257-09-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
163.045570468 u |
| Formula |
C9H9NS |
| InChI |
InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChIKey |
IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| Molecular Weight |
163.238 g/mol |
| Number of Peaks |
50 |
| RI1 |
1464 |
| RI2 |
1142 |
| RI3 |
1562 |
| RI4 |
1522 |
| SMILES |
C(Cc1ccccc1)N=C=S |
| SPLASH |
splash10-0006-9200000000-cce70a7884b421bacf1e |
| 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, (2-isothiocyanatoethyl)- |
| Wiley ID |
LM_FFNSC3_605 |
