| SpectraBase Compound ID | GVFiGIaw8kN |
|---|---|
| InChI | InChI=1S/C13H10OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H |
| InChIKey | VCQYDZJGTXAFRL-UHFFFAOYSA-N |
| Mol Weight | 214.28 g/mol |
| Molecular Formula | C13H10OS |
| Exact Mass | 214.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5vFvA3eQPHG |
|---|---|
| Name | Phcosph;S-phenyl-thiobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.045236115 u |
| Formula | C13H10OS |
| InChI | InChI=1S/C13H10OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H |
| InChIKey | VCQYDZJGTXAFRL-UHFFFAOYSA-N |
| Molecular Weight | 214.282 g/mol |
| SMILES | C=1(SC(=O)C2=CC=CC=C2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899925 |