| SpectraBase Compound ID | 9sGmU9n99Ja |
|---|---|
| InChI | InChI=1S/C13H8O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,14H |
| InChIKey | OEZKDMYTQDZSAZ-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 | 9IDuXLovCs2 |
|---|---|
| Name | 1-Hydroxy-9-thioxanthenone |
| 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/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,14H |
| InChIKey | OEZKDMYTQDZSAZ-UHFFFAOYSA-N |
| Molecular Weight | 228.265 g/mol |
| SMILES | C1(C2=C(C=CC=C2O)SC2=C1C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928773 |