![2-Methylpropyl-3-[[1-[(phenylmethoxycarbonyl)amino]-2-phenylethyl]carbonylamino]benzoate](/api/spectrum/LoJhbkKJbbb/structure.png?h=300&w=458 "2-Methylpropyl-3-[[1-[(phenylmethoxycarbonyl)amino]-2-phenylethyl]carbonylamino]benzoate")
| SpectraBase Compound ID | 1AHbNA09Zss |
|---|---|
| InChI | InChI=1S/C28H30N2O5/c1-20(2)18-34-27(32)23-14-9-15-24(17-23)29-26(31)25(16-21-10-5-3-6-11-21)30-28(33)35-19-22-12-7-4-8-13-22/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,29,31)(H,30,33) |
| InChIKey | FULWOASQCUXJBJ-UHFFFAOYSA-N |
| Mol Weight | 474.56 g/mol |
| Molecular Formula | C28H30N2O5 |
| Exact Mass | 474.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoJhbkKJbbb |
|---|---|
| Name | 2-Methylpropyl-3-[[1-[(phenylmethoxycarbonyl)amino]-2-phenylethyl]carbonylamino]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.215472069 u |
| Formula | C28H30N2O5 |
| InChI | InChI=1S/C28H30N2O5/c1-20(2)18-34-27(32)23-14-9-15-24(17-23)29-26(31)25(16-21-10-5-3-6-11-21)30-28(33)35-19-22-12-7-4-8-13-22/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,29,31)(H,30,33) |
| InChIKey | FULWOASQCUXJBJ-UHFFFAOYSA-N |
| Molecular Weight | 474.557 g/mol |
| SMILES | C1=C(C=C(C=C1)NC(C(NC(OCC1=CC=CC=C1)=O)CC1=CC=CC=C1)=O)C(=O)OCC(C)C |