| SpectraBase Compound ID | 66DB8ca0be5 |
|---|---|
| InChI | InChI=1S/C7H12O4S/c1-5(2)11-7(9)12-4-6(8)10-3/h5H,4H2,1-3H3 |
| InChIKey | DGGRPVAXEDNNIG-UHFFFAOYSA-N |
| Mol Weight | 192.23 g/mol |
| Molecular Formula | C7H12O4S |
| Exact Mass | 192.04563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BoJVMraJTNU |
|---|---|
| Name | Thioglycolic acid, S-isopropyloxycarbonyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.045630036 u |
| Formula | C7H12O4S |
| InChI | InChI=1S/C7H12O4S/c1-5(2)11-7(9)12-4-6(8)10-3/h5H,4H2,1-3H3 |
| InChIKey | DGGRPVAXEDNNIG-UHFFFAOYSA-N |
| Molecular Weight | 192.229 g/mol |
| SMILES | C(SC(OC(C)C)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94228 |