| SpectraBase Compound ID | 5YKUW1jIUTM |
|---|---|
| InChI | InChI=1S/C9H4Br2O2S/c10-7-8(12)5-3-1-2-4-6(5)14(13)9(7)11/h1-4H |
| InChIKey | OFMNOLODSBYDRY-UHFFFAOYSA-N |
| Mol Weight | 336.0 g/mol |
| Molecular Formula | C9H4Br2O2S |
| Exact Mass | 333.829877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FjmzdxZK28T |
|---|---|
| Name | 4H-1-Benzothiopyran-4-one, 2,3-dibromo-, 1-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.829876541 u |
| Formula | C9H4Br2O2S |
| InChI | InChI=1S/C9H4Br2O2S/c10-7-8(12)5-3-1-2-4-6(5)14(13)9(7)11/h1-4H |
| InChIKey | OFMNOLODSBYDRY-UHFFFAOYSA-N |
| Molecular Weight | 335.997 g/mol |
| SMILES | C=1(S(C=2C=CC=CC2C(C1Br)=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82156 |