| SpectraBase Compound ID | Co8y1KRiCki |
|---|---|
| InChI | InChI=1S/C13H8O2S/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H |
| InChIKey | RFJHVTPHJIFIOK-UHFFFAOYSA-N |
| Mol Weight | 228.26 g/mol |
| Molecular Formula | C13H8O2S |
| Exact Mass | 228.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | UyDTCjjNYO |
|---|---|
| Name | 9H-Thioxanthen-9-one, 3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.024500670 u |
| Formula | C13H8O2S |
| InChI | InChI=1S/C13H8O2S/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H |
| InChIKey | RFJHVTPHJIFIOK-UHFFFAOYSA-N |
| Molecular Weight | 228.265 g/mol |
| SMILES | C1(O)=CC=C2C(=O)C=3C=CC=CC3SC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954168 |