| SpectraBase Compound ID | HgY92xPrkfH |
|---|---|
| InChI | InChI=1S/C7H2Br3NO/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1,12H |
| InChIKey | OTEHAUCBVNKQDT-UHFFFAOYSA-N |
| Mol Weight | 355.81 g/mol |
| Molecular Formula | C7H2Br3NO |
| Exact Mass | 352.768653 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LZzXIvTRiu2 |
|---|---|
| Name | Benzonitrile, 2,4,6-tribromo-3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.768652687 u |
| Formula | C7H2Br3NO |
| InChI | InChI=1S/C7H2Br3NO/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1,12H |
| InChIKey | OTEHAUCBVNKQDT-UHFFFAOYSA-N |
| Molecular Weight | 355.811 g/mol |
| SMILES | C1(O)=C(Br)C=C(Br)C(C#N)=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912493 |