| SpectraBase Compound ID | 4mLwOFZj5HQ |
|---|---|
| InChI | InChI=1S/C15H9ClOS/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | XMZFKFYANORKHU-UHFFFAOYSA-N |
| Mol Weight | 272.75 g/mol |
| Molecular Formula | C15H9ClOS |
| Exact Mass | 272.006264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3iOw0uoIfeX |
|---|---|
| Name | 6-Chlorothioflavone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.006263783 u |
| Formula | C15H9ClOS |
| InChI | InChI=1S/C15H9ClOS/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | XMZFKFYANORKHU-UHFFFAOYSA-N |
| Molecular Weight | 272.749 g/mol |
| SMILES | C1(Cl)=CC=2C(=O)C=C(SC2C=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943225 |