| SpectraBase Compound ID | A1C8rI0l7OA |
|---|---|
| InChI | InChI=1S/C6H10O2S/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8) |
| InChIKey | YNFYCBDMMKUYKX-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 | GdPa20xxuEY |
|---|---|
| Name | 2-(2-Thiolanyl)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/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8) |
| InChIKey | YNFYCBDMMKUYKX-UHFFFAOYSA-N |
| Molecular Weight | 146.204 g/mol |
| SMILES | C(C(=O)O)C1SCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935119 |