![4-isobutoxy-N-[(Z)-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-2-phenyl-vinyl]benzamide](/api/spectrum/7Jb2zBjUfbr/structure.png?h=300&w=458 "4-isobutoxy-N-[(Z)-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-2-phenyl-vinyl]benzamide")
| SpectraBase Compound ID | Lb3MU3GtxV9 |
|---|---|
| InChI | InChI=1S/C31H33N3O3/c1-21(2)20-37-25-15-13-24(14-16-25)30(35)34-29(19-23-9-5-4-6-10-23)31(36)32-18-17-26-22(3)33-28-12-8-7-11-27(26)28/h4-16,19,21,33H,17-18,20H2,1-3H3,(H,32,36)(H,34,35)/b29-19- |
| InChIKey | PFDQFCGKFCBWME-CEUNXORHSA-N |
| Mol Weight | 495.6 g/mol |
| Molecular Formula | C31H33N3O3 |
| Exact Mass | 495.252192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Jb2zBjUfbr |
|---|---|
| Name | 4-Isobutoxy-N-[(Z)-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-2-phenyl-vinyl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 495.252191932 u |
| Formula | C31H33N3O3 |
| InChI | InChI=1S/C31H33N3O3/c1-21(2)20-37-25-15-13-24(14-16-25)30(35)34-29(19-23-9-5-4-6-10-23)31(36)32-18-17-26-22(3)33-28-12-8-7-11-27(26)28/h4-16,19,21,33H,17-18,20H2,1-3H3,(H,32,36)(H,34,35)/b29-19- |
| InChIKey | PFDQFCGKFCBWME-CEUNXORHSA-N |
| Molecular Weight | 495.623 g/mol |
| SMILES | C=1C=CC(\C=C\(C(NCCC2=C(NC3=C2C=CC=C3)C)=O)NC(C=2C=CC(OCC(C)C)=CC2)=O)=CC1 |