| SpectraBase Compound ID | D2hQs17kDjF |
|---|---|
| InChI | InChI=1S/C9H4Br2OS/c10-7-8(12)5-3-1-2-4-6(5)13-9(7)11/h1-4H |
| InChIKey | NMVHRMNBUOUZJJ-UHFFFAOYSA-N |
| Mol Weight | 320.0 g/mol |
| Molecular Formula | C9H4Br2OS |
| Exact Mass | 317.834962 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H8KZnZQ37lw |
|---|---|
| Name | 2,3-Dibromo-thiochromen-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.834961922 u |
| Formula | C9H4Br2OS |
| InChI | InChI=1S/C9H4Br2OS/c10-7-8(12)5-3-1-2-4-6(5)13-9(7)11/h1-4H |
| InChIKey | NMVHRMNBUOUZJJ-UHFFFAOYSA-N |
| Molecular Weight | 319.998 g/mol |
| Nominal Mass | 318 u |
| SMILES | C1(=C(SC2=C(C1=O)C=CC=C2)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844162 |