| SpectraBase Compound ID | 3uEw9UVKuWX |
|---|---|
| InChI | InChI=1S/C7H10OS/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | ZTHZZBPDCKLCSY-UHFFFAOYSA-N |
| Mol Weight | 142.22 g/mol |
| Molecular Formula | C7H10OS |
| Exact Mass | 142.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A2dPauVUJ1K |
|---|---|
| Name | 3-Butenoic acid, 2-propenylthioester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.045236115 u |
| Formula | C7H10OS |
| InChI | InChI=1S/C7H10OS/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | ZTHZZBPDCKLCSY-UHFFFAOYSA-N |
| Molecular Weight | 142.216 g/mol |
| SMILES | C=CCC(=O)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91171 |