| SpectraBase Compound ID | cbgDPHa5gJ |
|---|---|
| InChI | InChI=1S/C28H27BrN2O/c1-19(2)21-10-12-22(13-11-21)27-18-25(24-17-23(29)14-15-26(24)31-27)28(32)30-16-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-15,17-19H,6,9,16H2,1-2H3,(H,30,32) |
| InChIKey | CRGXOBIHVQIVSU-UHFFFAOYSA-N |
| Mol Weight | 487.44 g/mol |
| Molecular Formula | C28H27BrN2O |
| Exact Mass | 486.130676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LV2mwuLFetF |
|---|---|
| Name | 6-Bromo-2-(4-isopropylphenyl)-N-(3-phenylpropyl)-4-quinolinecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.130676496 u |
| Formula | C28H27BrN2O |
| InChI | InChI=1S/C28H27BrN2O/c1-19(2)21-10-12-22(13-11-21)27-18-25(24-17-23(29)14-15-26(24)31-27)28(32)30-16-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-15,17-19H,6,9,16H2,1-2H3,(H,30,32) |
| InChIKey | CRGXOBIHVQIVSU-UHFFFAOYSA-N |
| Molecular Weight | 487.441 g/mol |
| SMILES | N(CCCC1=CC=CC=C1)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C=1C=CC(=CC1)C(C)C)=O |