| SpectraBase Compound ID | 7uoXpwe2qc0 |
|---|---|
| InChI | InChI=1S/C30H32N2O4/c1-21-17-19-24(20-18-21)32(29(34)22-11-5-3-6-12-22)27(28(33)31-23-13-7-4-8-14-23)25-15-9-10-16-26(25)30(35)36-2/h3,5-6,9-12,15-20,23,27H,4,7-8,13-14H2,1-2H3,(H,31,33) |
| InChIKey | GBGQDHAXRYHIBQ-UHFFFAOYSA-N |
| Mol Weight | 484.6 g/mol |
| Molecular Formula | C30H32N2O4 |
| Exact Mass | 484.236208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RmQJMVezXi |
|---|---|
| Name | Methyl 2-(2-(cyclohexylamino)-2-oxo-1-(N-(p-tolyl)benzamido)ethyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.236207514 u |
| Formula | C30H32N2O4 |
| InChI | InChI=1S/C30H32N2O4/c1-21-17-19-24(20-18-21)32(29(34)22-11-5-3-6-12-22)27(28(33)31-23-13-7-4-8-14-23)25-15-9-10-16-26(25)30(35)36-2/h3,5-6,9-12,15-20,23,27H,4,7-8,13-14H2,1-2H3,(H,31,33) |
| InChIKey | GBGQDHAXRYHIBQ-UHFFFAOYSA-N |
| Molecular Weight | 484.596 g/mol |
| SMILES | C(N(C1=CC=C(C=C1)C)C(=O)C1=CC=CC=C1)(C(NC1CCCCC1)=O)C1=CC=CC=C1C(OC)=O |