| SpectraBase Compound ID | AZhBPupojgR |
|---|---|
| InChI | InChI=1S/C13H10O2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15) |
| InChIKey | WRZVDYSYXLKRNN-UHFFFAOYSA-N |
| Mol Weight | 230.28 g/mol |
| Molecular Formula | C13H10O2S |
| Exact Mass | 230.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ETLSPqNtHpL |
|---|---|
| Name | 4-(Phenylthio)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.040150734 u |
| Formula | C13H10O2S |
| InChI | InChI=1S/C13H10O2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15) |
| InChIKey | WRZVDYSYXLKRNN-UHFFFAOYSA-N |
| Molecular Weight | 230.281 g/mol |
| SMILES | C(C1=CC=C(C=C1)SC1=CC=CC=C1)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91589 |