![(2E)-3-(4-tert-butylphenyl)-N-(2-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}-1-methylethyl)-2-propenamide](/api/spectrum/C9TFBkG4oBW/structure.png?h=300&w=458 "(2E)-3-(4-tert-butylphenyl)-N-(2-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}-1-methylethyl)-2-propenamide")
| SpectraBase Compound ID | I930c8fdiiN |
|---|---|
| InChI | InChI=1S/C29H38N2O2/c1-21(31-27(33)19-13-23-10-16-25(17-11-23)29(5,6)7)20-30-26(32)18-12-22-8-14-24(15-9-22)28(2,3)4/h8-19,21H,20H2,1-7H3,(H,30,32)(H,31,33)/b18-12+,19-13+ |
| InChIKey | GTTTUPHLIOHOKJ-KLCVKJMQSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C29H38N2O2 |
| Exact Mass | 446.293328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9TFBkG4oBW |
|---|---|
| Name | (2E)-3-(4-Tert-butylphenyl)-N-(2-{[(2E)-3-(4-tert-butylphenyl)-2-propenoyl]amino}-1-methylethyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.293328470 u |
| Formula | C29H38N2O2 |
| InChI | InChI=1S/C29H38N2O2/c1-21(31-27(33)19-13-23-10-16-25(17-11-23)29(5,6)7)20-30-26(32)18-12-22-8-14-24(15-9-22)28(2,3)4/h8-19,21H,20H2,1-7H3,(H,30,32)(H,31,33)/b18-12+,19-13+ |
| InChIKey | GTTTUPHLIOHOKJ-KLCVKJMQSA-N |
| Molecular Weight | 446.635 g/mol |
| SMILES | N(C(\C=C\C=1C=CC(C(C)(C)C)=CC1)=O)C(CNC(\C=C\C=1C=CC(C(C)(C)C)=CC1)=O)C |