| SpectraBase Compound ID | 8GW5xrkR5yY |
|---|---|
| InChI | InChI=1S/C25H42BrNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-27(22(3)5-2)25(28)23-17-19-24(26)20-18-23/h17-20,22H,4-16,21H2,1-3H3 |
| InChIKey | INSOCFLPRSQZNY-UHFFFAOYSA-N |
| Mol Weight | 452.5 g/mol |
| Molecular Formula | C25H42BrNO |
| Exact Mass | 451.244978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BP4QVpYINzV |
|---|---|
| Name | Benzamide, 4-bromo-N-(2-butyl)-N-tetradecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.244977975 u |
| Formula | C25H42BrNO |
| InChI | InChI=1S/C25H42BrNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-27(22(3)5-2)25(28)23-17-19-24(26)20-18-23/h17-20,22H,4-16,21H2,1-3H3 |
| InChIKey | INSOCFLPRSQZNY-UHFFFAOYSA-N |
| Molecular Weight | 452.521 g/mol |
| SMILES | C(=O)(N(CCCCCCCCCCCCCC)C(CC)C)C=1C=CC(=CC1)Br |