| SpectraBase Compound ID | HG5rOhW8Gq7 |
|---|---|
| InChI | InChI=1S/C21H26BrNO/c1-3-4-6-9-17(2)23(16-18-10-7-5-8-11-18)21(24)19-12-14-20(22)15-13-19/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3 |
| InChIKey | WKFPWRYMNWIJPG-UHFFFAOYSA-N |
| Mol Weight | 388.35 g/mol |
| Molecular Formula | C21H26BrNO |
| Exact Mass | 387.119777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4egEJrZZji |
|---|---|
| Name | Benzamide, 4-bromo-N-benzyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.119777460 u |
| Formula | C21H26BrNO |
| InChI | InChI=1S/C21H26BrNO/c1-3-4-6-9-17(2)23(16-18-10-7-5-8-11-18)21(24)19-12-14-20(22)15-13-19/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3 |
| InChIKey | WKFPWRYMNWIJPG-UHFFFAOYSA-N |
| Molecular Weight | 388.349 g/mol |
| SMILES | C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Br |