| SpectraBase Compound ID | DiHkv8YxIFT |
|---|---|
| InChI | InChI=1S/C6H10O2S/c1-2-3-4-9-5-6(7)8/h2H,1,3-5H2,(H,7,8) |
| InChIKey | UOZJIQYUZYVKLZ-UHFFFAOYSA-N |
| Mol Weight | 146.2 g/mol |
| Molecular Formula | C6H10O2S |
| Exact Mass | 146.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AOyGWH5dpTv |
|---|---|
| Name | 2-(but-3-Enylthio)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.040150734 u |
| Formula | C6H10O2S |
| InChI | InChI=1S/C6H10O2S/c1-2-3-4-9-5-6(7)8/h2H,1,3-5H2,(H,7,8) |
| InChIKey | UOZJIQYUZYVKLZ-UHFFFAOYSA-N |
| Molecular Weight | 146.204 g/mol |
| SMILES | C(=O)(O)CSCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811898 |