| SpectraBase Compound ID | 4pNGFukyreB |
|---|---|
| InChI | InChI=1S/C8H6BrNS2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11) |
| InChIKey | RGLTUVINOKMVTF-UHFFFAOYSA-N |
| Mol Weight | 260.17 g/mol |
| Molecular Formula | C8H6BrNS2 |
| Exact Mass | 258.912505 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5tXNVxDelnO |
|---|---|
| Name | 6-Bromo-1,4-dihydro-2H-3,1-benzothiazine-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.912504545 u |
| Formula | C8H6BrNS2 |
| InChI | InChI=1S/C8H6BrNS2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11) |
| InChIKey | RGLTUVINOKMVTF-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC(=CC2CSC1=S)Br |
| Spectrum/Structure Validation Score (Raman) | 0.788202 |