| SpectraBase Compound ID | JjqRsB5kSta |
|---|---|
| InChI | InChI=1S/C4H7NS/c1-2-3-6-4-5/h2-3H2,1H3 |
| InChIKey | VDQRHYCVPYJPHU-UHFFFAOYSA-N |
| Mol Weight | 101.17 g/mol |
| Molecular Formula | C4H7NS |
| Exact Mass | 101.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ycD8DlDAC6 |
|---|---|
| Name | Thiocyanic acid, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 101.029920403 u |
| Formula | C4H7NS |
| InChI | InChI=1S/C4H7NS/c1-2-3-6-4-5/h2-3H2,1H3 |
| InChIKey | VDQRHYCVPYJPHU-UHFFFAOYSA-N |
| Molecular Weight | 101.167 g/mol |
| SMILES | C(#N)SCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956353 |