| SpectraBase Spectrum ID |
J9OK3E8LrbP |
| Name |
Isothiocyanatoethane |
| CAS Registry Number |
542-85-8 |
| 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 |
87.014270339 u |
| Formula |
C3H5NS |
| InChI |
InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChIKey |
HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| Molecular Weight |
87.140 g/mol |
| Number of Peaks |
38 |
| RI1 |
805 |
| RI2 |
460 |
| RI3 |
635 |
| RI4 |
591 |
| SMILES |
C(N=C=S)C |
| SPLASH |
splash10-052r-9000000000-8dd78650998c3a7f48fb |
| 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 |
Ethane, isothiocyanato- |
| Wiley ID |
LM_FFNSC3_3087 |
