![2-Methylpropyl 3-[[1-(2,2-dimethylpropyl)carbonylamino]-2-phenylethyl]carbonylamino]benzoate](/api/spectrum/Gcae4mSUYi6/structure.png?h=300&w=458 "2-Methylpropyl 3-[[1-(2,2-dimethylpropyl)carbonylamino]-2-phenylethyl]carbonylamino]benzoate")
| SpectraBase Compound ID | EKHZ9cgFxMM |
|---|---|
| InChI | InChI=1S/C26H34N2O4/c1-18(2)17-32-25(31)20-12-9-13-21(15-20)27-24(30)22(14-19-10-7-6-8-11-19)28-23(29)16-26(3,4)5/h6-13,15,18,22H,14,16-17H2,1-5H3,(H,27,30)(H,28,29) |
| InChIKey | TZDQCFSSPCVWTG-UHFFFAOYSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C26H34N2O4 |
| Exact Mass | 438.251858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gcae4mSUYi6 |
|---|---|
| Name | 2-Methylpropyl 3-[[1-(2,2-dimethylpropyl)carbonylamino]-2-phenylethyl]carbonylamino]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.251857579 u |
| Formula | C26H34N2O4 |
| InChI | InChI=1S/C26H34N2O4/c1-18(2)17-32-25(31)20-12-9-13-21(15-20)27-24(30)22(14-19-10-7-6-8-11-19)28-23(29)16-26(3,4)5/h6-13,15,18,22H,14,16-17H2,1-5H3,(H,27,30)(H,28,29) |
| InChIKey | TZDQCFSSPCVWTG-UHFFFAOYSA-N |
| Molecular Weight | 438.568 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OCC(C)C)=O)NC(C(NC(CC(C)(C)C)=O)CC=1C=CC=CC1)=O |