![2-Methylpropyl-3-[[1-[(4-methylphenyl)carbonylamino]-2-phenylethyl]carbonylamino]benzoate](/api/spectrum/G7ySJKNneJ9/structure.png?h=300&w=458 "2-Methylpropyl-3-[[1-[(4-methylphenyl)carbonylamino]-2-phenylethyl]carbonylamino]benzoate")
| SpectraBase Compound ID | 6I0dqK1hRaK |
|---|---|
| InChI | InChI=1S/C28H30N2O4/c1-19(2)18-34-28(33)23-10-7-11-24(17-23)29-27(32)25(16-21-8-5-4-6-9-21)30-26(31)22-14-12-20(3)13-15-22/h4-15,17,19,25H,16,18H2,1-3H3,(H,29,32)(H,30,31) |
| InChIKey | VEPZVPMFBCJCJR-UHFFFAOYSA-N |
| Mol Weight | 458.56 g/mol |
| Molecular Formula | C28H30N2O4 |
| Exact Mass | 458.220557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G7ySJKNneJ9 |
|---|---|
| Name | 2-Methylpropyl-3-[[1-[(4-methylphenyl)carbonylamino]-2-phenylethyl]carbonylamino]benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.220557450 u |
| Formula | C28H30N2O4 |
| InChI | InChI=1S/C28H30N2O4/c1-19(2)18-34-28(33)23-10-7-11-24(17-23)29-27(32)25(16-21-8-5-4-6-9-21)30-26(31)22-14-12-20(3)13-15-22/h4-15,17,19,25H,16,18H2,1-3H3,(H,29,32)(H,30,31) |
| InChIKey | VEPZVPMFBCJCJR-UHFFFAOYSA-N |
| Molecular Weight | 458.558 g/mol |
| SMILES | CC(C)COC(C1=CC(NC(C(NC(=O)C2=CC=C(C)C=C2)CC2=CC=CC=C2)=O)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840574 |