| SpectraBase Compound ID | HPI29mfPuaE |
|---|---|
| InChI | InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2 |
| InChIKey | IFVYHJRLWCUVBB-UHFFFAOYSA-N |
| Mol Weight | 99.15 g/mol |
| Molecular Formula | C4H5NS |
| Exact Mass | 99.01427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ERPPCo810A7 |
|---|---|
| Name | Thiocyanic acid, 2-propenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. 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 |
| SMILES | C=CCSC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973797 |