| SpectraBase Compound ID | HanKSnzTfGx |
|---|---|
| InChI | InChI=1S/C14H10O2S/c15-10-12-8-4-5-9-13(12)17-14(16)11-6-2-1-3-7-11/h1-10H |
| InChIKey | HYFINTWCAKGANT-UHFFFAOYSA-N |
| Mol Weight | 242.29 g/mol |
| Molecular Formula | C14H10O2S |
| Exact Mass | 242.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTLSHRBFJBE |
|---|---|
| Name | S-2-Formylphenyl benzothioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.040150734 u |
| Formula | C14H10O2S |
| InChI | InChI=1S/C14H10O2S/c15-10-12-8-4-5-9-13(12)17-14(16)11-6-2-1-3-7-11/h1-10H |
| InChIKey | HYFINTWCAKGANT-UHFFFAOYSA-N |
| Molecular Weight | 242.292 g/mol |
| SMILES | C=1C=C(C(SC(C2=CC=CC=C2)=O)=CC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879576 |