| SpectraBase Compound ID | A2uq5oW7Vnc |
|---|---|
| InChI | InChI=1S/C23H30BrNO/c1-2-3-4-5-6-7-11-18-25(19-20-12-9-8-10-13-20)23(26)21-14-16-22(24)17-15-21/h8-10,12-17H,2-7,11,18-19H2,1H3 |
| InChIKey | CRMDYECLKACKPL-UHFFFAOYSA-N |
| Mol Weight | 416.4 g/mol |
| Molecular Formula | C23H30BrNO |
| Exact Mass | 415.151078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBeXNk8kJWP |
|---|---|
| Name | Benzamide, 4-bromo-N-benzyl-N-nonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.151077589 u |
| Formula | C23H30BrNO |
| InChI | InChI=1S/C23H30BrNO/c1-2-3-4-5-6-7-11-18-25(19-20-12-9-8-10-13-20)23(26)21-14-16-22(24)17-15-21/h8-10,12-17H,2-7,11,18-19H2,1H3 |
| InChIKey | CRMDYECLKACKPL-UHFFFAOYSA-N |
| Molecular Weight | 416.403 g/mol |
| SMILES | C(N(CCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Br |