| SpectraBase Compound ID | FuHd9kKDutb |
|---|---|
| InChI | InChI=1S/C9H8BrNO2/c1-13-8-5-6(2-3-11)4-7(10)9(8)12/h4-5,12H,2H2,1H3 |
| InChIKey | VMARCRAWRNPBBQ-UHFFFAOYSA-N |
| Mol Weight | 242.07 g/mol |
| Molecular Formula | C9H8BrNO2 |
| Exact Mass | 240.973841 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6sJTHP97eys |
|---|---|
| Name | 3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.973841500 u |
| Formula | C9H8BrNO2 |
| InChI | InChI=1S/C9H8BrNO2/c1-13-8-5-6(2-3-11)4-7(10)9(8)12/h4-5,12H,2H2,1H3 |
| InChIKey | VMARCRAWRNPBBQ-UHFFFAOYSA-N |
| Molecular Weight | 242.072 g/mol |
| SMILES | C1=C(C=C(C(=C1Br)O)OC)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953534 |