| SpectraBase Compound ID | 57TLoc7vqxy |
|---|---|
| InChI | InChI=1S/C15H10OS/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H |
| InChIKey | SINIJZSQIYKGCG-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C15H10OS |
| Exact Mass | 238.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | oqLaVHERq2 |
|---|---|
| Name | 4-Phenyl-2H-thiochromen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.045236115 u |
| Formula | C15H10OS |
| InChI | InChI=1S/C15H10OS/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H |
| InChIKey | SINIJZSQIYKGCG-UHFFFAOYSA-N |
| Molecular Weight | 238.304 g/mol |
| SMILES | C=1(C=2C(=CC=CC2)SC(C1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928096 |