| SpectraBase Compound ID | 9iL5lw5Z0fA |
|---|---|
| InChI | InChI=1S/C8H8BrNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11) |
| InChIKey | YBNPCJSZMYHDDR-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 | 2gvZwQp2tj3 |
|---|---|
| Name | Benzamide, 3-bromo-N-methyl- |
| 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/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11) |
| InChIKey | YBNPCJSZMYHDDR-UHFFFAOYSA-N |
| Molecular Weight | 214.062 g/mol |
| SMILES | C(NC)(=O)C=1C=CC=C(Br)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865518 |