| SpectraBase Compound ID | 630SCp4Xsdo |
|---|---|
| InChI | InChI=1S/C9H6OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H |
| InChIKey | DHSYDTXGFJPXKA-UHFFFAOYSA-N |
| Mol Weight | 162.21 g/mol |
| Molecular Formula | C9H6OS |
| Exact Mass | 162.013936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 75CjwqWFb2T |
|---|---|
| Name | Thiochromon |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.013935986 u |
| Formula | C9H6OS |
| InChI | InChI=1S/C9H6OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H |
| InChIKey | DHSYDTXGFJPXKA-UHFFFAOYSA-N |
| Molecular Weight | 162.206 g/mol |
| SMILES | C=1SC2=CC=CC=C2C(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934797 |