![S-[p-Chlorothiobenzoyl]thioglycolic acid](/api/spectrum/BqmzINXCQoW/structure.png?h=300&w=458 "S-[p-Chlorothiobenzoyl]thioglycolic acid")
| SpectraBase Compound ID | 3yfWswNQBF |
|---|---|
| InChI | InChI=1S/C9H7ClO2S2/c10-7-3-1-6(2-4-7)9(13)14-5-8(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | ANBCAXVEMHHBFM-UHFFFAOYSA-N |
| Mol Weight | 246.73 g/mol |
| Molecular Formula | C9H7ClO2S2 |
| Exact Mass | 245.9576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqmzINXCQoW |
|---|---|
| Name | S-[p-Chlorothiobenzoyl]thioglycolic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.957599511 u |
| Formula | C9H7ClO2S2 |
| InChI | InChI=1S/C9H7ClO2S2/c10-7-3-1-6(2-4-7)9(13)14-5-8(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | ANBCAXVEMHHBFM-UHFFFAOYSA-N |
| Molecular Weight | 246.726 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=S)SCC(=O)O |