| SpectraBase Compound ID | LvksfZSfxgn |
|---|---|
| InChI | InChI=1S/C22H28BrNO/c1-2-3-4-5-6-12-17-24(18-19-13-8-7-9-14-19)22(25)20-15-10-11-16-21(20)23/h7-11,13-16H,2-6,12,17-18H2,1H3 |
| InChIKey | USOXCCYSRLVQMP-UHFFFAOYSA-N |
| Mol Weight | 402.38 g/mol |
| Molecular Formula | C22H28BrNO |
| Exact Mass | 401.135428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8dngsd7B1e |
|---|---|
| Name | Benzamide, 2-bromo-N-benzyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.135427525 u |
| Formula | C22H28BrNO |
| InChI | InChI=1S/C22H28BrNO/c1-2-3-4-5-6-12-17-24(18-19-13-8-7-9-14-19)22(25)20-15-10-11-16-21(20)23/h7-11,13-16H,2-6,12,17-18H2,1H3 |
| InChIKey | USOXCCYSRLVQMP-UHFFFAOYSA-N |
| Molecular Weight | 402.376 g/mol |
| SMILES | C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(Br)=CC=CC1 |