| SpectraBase Compound ID | 44pVVvHXYia |
|---|---|
| InChI | InChI=1S/C6H10O4S/c1-4(2)10-6(9)11-3-5(7)8/h4H,3H2,1-2H3,(H,7,8) |
| InChIKey | DRVAFFDFHYYTAP-UHFFFAOYSA-N |
| Mol Weight | 178.2 g/mol |
| Molecular Formula | C6H10O4S |
| Exact Mass | 178.02998 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XBt6wwW97W |
|---|---|
| Name | Thioglycolic acid, S-isopropyloxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.029979972 u |
| Formula | C6H10O4S |
| InChI | InChI=1S/C6H10O4S/c1-4(2)10-6(9)11-3-5(7)8/h4H,3H2,1-2H3,(H,7,8) |
| InChIKey | DRVAFFDFHYYTAP-UHFFFAOYSA-N |
| SMILES | C(SC(OC(C)C)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88549 |