| SpectraBase Compound ID | IWw4rKV5Hrl |
|---|---|
| InChI | InChI=1S/C7H4BrNO/c8-6-3-1-2-5(4-9)7(6)10/h1-3,10H |
| InChIKey | BUWXNBPLRLEXOZ-UHFFFAOYSA-N |
| Mol Weight | 198.02 g/mol |
| Molecular Formula | C7H4BrNO |
| Exact Mass | 196.947627 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IaQpdqhDU0U |
|---|---|
| Name | 3-Bromo-2-hydroxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.947626752 u |
| Formula | C7H4BrNO |
| InChI | InChI=1S/C7H4BrNO/c8-6-3-1-2-5(4-9)7(6)10/h1-3,10H |
| InChIKey | BUWXNBPLRLEXOZ-UHFFFAOYSA-N |
| Molecular Weight | 198.019 g/mol |
| SMILES | C1(Br)=C(C(C#N)=CC=C1)O |
| Spectrum/Structure Validation Score (Raman) | 0.941872 |