| SpectraBase Compound ID | 4fNNqIFvbXk |
|---|---|
| InChI | InChI=1S/C11H14BrNO/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14) |
| InChIKey | FKQYEUJITUURPH-UHFFFAOYSA-N |
| Mol Weight | 256.14 g/mol |
| Molecular Formula | C11H14BrNO |
| Exact Mass | 255.025877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5ohr80BDTD0 |
|---|---|
| Name | Benzamide, 3-bromo-N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.025877074 u |
| Formula | C11H14BrNO |
| InChI | InChI=1S/C11H14BrNO/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14) |
| InChIKey | FKQYEUJITUURPH-UHFFFAOYSA-N |
| SMILES | C(NCCCC)(=O)C=1C=CC=C(Br)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942842 |