| SpectraBase Spectrum ID |
I4c6uatf4La |
| Name |
Thiocyanate |
| CAS Registry Number |
764-49-8 |
| 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 |
99.014270339 u |
| Formula |
C4H5NS |
| InChI |
InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2 |
| InChIKey |
IFVYHJRLWCUVBB-UHFFFAOYSA-N |
| Molecular Weight |
99.151 g/mol |
| Number of Peaks |
47 |
| RI1 |
867 |
| RI2 |
529 |
| SMILES |
C(SC#N)C=C |
| SPLASH |
splash10-0006-9000000000-8a8feb84b245687c2ca7 |
| 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 |
Thiocyanic acid, 2-propenyl ester |
| Wiley ID |
LM_FFNSC3_1818 |
