![(2E)-3-(4-tert-butylphenyl)-N-(4-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}cyclohexyl)-2-propenamide](/api/spectrum/DtYxxlFmxNH/structure.png?h=300&w=458 "(2E)-3-(4-tert-butylphenyl)-N-(4-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}cyclohexyl)-2-propenamide")
| SpectraBase Compound ID | KtS1KePVo9P |
|---|---|
| InChI | InChI=1S/C32H42N2O2/c1-31(2,3)25-13-7-23(8-14-25)11-21-29(35)33-27-17-19-28(20-18-27)34-30(36)22-12-24-9-15-26(16-10-24)32(4,5)6/h7-16,21-22,27-28H,17-20H2,1-6H3,(H,33,35)(H,34,36)/b21-11+,22-12+ |
| InChIKey | PSRBUANVLPJZOD-XHQRYOPUSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C32H42N2O2 |
| Exact Mass | 486.324629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtYxxlFmxNH |
|---|---|
| Name | (2E)-3-(4-Tert-butylphenyl)-N-(4-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}cyclohexyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.324628598 u |
| Formula | C32H42N2O2 |
| InChI | InChI=1S/C32H42N2O2/c1-31(2,3)25-13-7-23(8-14-25)11-21-29(35)33-27-17-19-28(20-18-27)34-30(36)22-12-24-9-15-26(16-10-24)32(4,5)6/h7-16,21-22,27-28H,17-20H2,1-6H3,(H,33,35)(H,34,36)/b21-11+,22-12+ |
| InChIKey | PSRBUANVLPJZOD-XHQRYOPUSA-N |
| Molecular Weight | 486.700 g/mol |
| SMILES | N(C(\C=C\C=1C=CC(C(C)(C)C)=CC1)=O)C1CCC(NC(\C=C\C=2C=CC(C(C)(C)C)=CC2)=O)CC1 |