| SpectraBase Compound ID | BpsqmJnTKP9 |
|---|---|
| InChI | InChI=1S/C13H18BrNO/c1-2-3-4-5-9-15-13(16)11-7-6-8-12(14)10-11/h6-8,10H,2-5,9H2,1H3,(H,15,16) |
| InChIKey | JKUIPWXCVWSAIF-UHFFFAOYSA-N |
| Mol Weight | 284.2 g/mol |
| Molecular Formula | C13H18BrNO |
| Exact Mass | 283.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EV6OtklexE4 |
|---|---|
| Name | Benzamide, 3-bromo-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.057177203 u |
| Formula | C13H18BrNO |
| InChI | InChI=1S/C13H18BrNO/c1-2-3-4-5-9-15-13(16)11-7-6-8-12(14)10-11/h6-8,10H,2-5,9H2,1H3,(H,15,16) |
| InChIKey | JKUIPWXCVWSAIF-UHFFFAOYSA-N |
| SMILES | C(NCCCCCC)(=O)C=1C=CC=C(Br)C1 |