| SpectraBase Compound ID | EyZ0zz5RiJL |
|---|---|
| InChI | InChI=1S/C17H18BrNO/c1-2-3-5-13-8-10-16(11-9-13)19-17(20)14-6-4-7-15(18)12-14/h4,6-12H,2-3,5H2,1H3,(H,19,20) |
| InChIKey | NKARKQLHHKOHMH-UHFFFAOYSA-N |
| Mol Weight | 332.24 g/mol |
| Molecular Formula | C17H18BrNO |
| Exact Mass | 331.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMfXviEo8PA |
|---|---|
| Name | 3-Bromo-N-(4-butyl-phenyl)-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.057177203 u |
| Formula | C17H18BrNO |
| InChI | InChI=1S/C17H18BrNO/c1-2-3-5-13-8-10-16(11-9-13)19-17(20)14-6-4-7-15(18)12-14/h4,6-12H,2-3,5H2,1H3,(H,19,20) |
| InChIKey | NKARKQLHHKOHMH-UHFFFAOYSA-N |
| Molecular Weight | 332.241 g/mol |
| SMILES | C(NC1=CC=C(CCCC)C=C1)(C1=CC(Br)=CC=C1)=O |