| SpectraBase Compound ID | BetatBDILfG |
|---|---|
| InChI | InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+ |
| InChIKey | RIZGKEIRSQLIBK-NSCUHMNNSA-N |
| Mol Weight | 74.14 g/mol |
| Molecular Formula | C3H6S |
| Exact Mass | 74.019021 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CU4XSDio0X3 |
|---|---|
| Name | 1-Propene-1-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 74.019021367 u |
| Formula | C3H6S |
| InChI | InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+ |
| InChIKey | RIZGKEIRSQLIBK-NSCUHMNNSA-N |
| Molecular Weight | 74.141 g/mol |
| SMILES | C\C=C\S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945813 |