| SpectraBase Compound ID | 8S65QKMupYh |
|---|---|
| InChI | InChI=1S/C5H6O2S/c1-8-5(7)3-2-4-6/h2-4H,1H3/b3-2- |
| InChIKey | FXDRCRQMSJXBDS-IHWYPQMZSA-N |
| Mol Weight | 130.16 g/mol |
| Molecular Formula | C5H6O2S |
| Exact Mass | 130.008851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6zh5ncPfUcu |
|---|---|
| Name | Methyl (Z)-4-oxo-2-butenthioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.008850605 u |
| Formula | C5H6O2S |
| InChI | InChI=1S/C5H6O2S/c1-8-5(7)3-2-4-6/h2-4H,1H3/b3-2- |
| InChIKey | FXDRCRQMSJXBDS-IHWYPQMZSA-N |
| SMILES | C(\C=C/C=O)(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927262 |