SpectraBase Compound ID | 5l6zQsV7fGk |
---|---|
InChI | InChI=1S/C2H3NS/c3-1-2-4/h4H,2H2 |
InChIKey | SUBFDLZTGLXJHJ-UHFFFAOYSA-N |
Mol Weight | 73.11 g/mol |
Molecular Formula | C2H3NS |
Exact Mass | 72.99862 g/mol |
SpectraBase Spectrum ID | Jwz0uKoAKki |
---|---|
Name | Mercaptoacetonitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 72.998620275 u |
Formula | C2H3NS |
InChI | InChI=1S/C2H3NS/c3-1-2-4/h4H,2H2 |
InChIKey | SUBFDLZTGLXJHJ-UHFFFAOYSA-N |
SMILES | C(C#N)S |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818955 |