| SpectraBase Compound ID | CWPoUNFediS |
|---|---|
| InChI | InChI=1S/C8H8BrNO/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H2,10,11) |
| InChIKey | ORRDZVRYRNYLMB-UHFFFAOYSA-N |
| Mol Weight | 214.06 g/mol |
| Molecular Formula | C8H8BrNO |
| Exact Mass | 212.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qeOG56qC4J |
|---|---|
| Name | 3-Bromomethylbenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.978926881 u |
| Formula | C8H8BrNO |
| InChI | InChI=1S/C8H8BrNO/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H2,10,11) |
| InChIKey | ORRDZVRYRNYLMB-UHFFFAOYSA-N |
| Molecular Weight | 214.062 g/mol |
| SMILES | C1(=CC=CC(=C1)CBr)C(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925351 |