| SpectraBase Compound ID | 2QPCHxNyRGo |
|---|---|
| InChI | InChI=1S/C27H37NO4/c1-4-30-24-17-22(18-25(31-5-2)26(24)32-6-3)27(29)28-19-23(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7,9-10,13-14,17-18,21,23H,4-6,8,11-12,15-16,19H2,1-3H3,(H,28,29) |
| InChIKey | NWGYMBAIIKEDTI-UHFFFAOYSA-N |
| Mol Weight | 439.6 g/mol |
| Molecular Formula | C27H37NO4 |
| Exact Mass | 439.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaGRoBNjIvU |
|---|---|
| Name | N-(2-Cyclohexyl-2-phenyl-ethyl)-3,4,5-triethoxy-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.272258671 u |
| Formula | C27H37NO4 |
| InChI | InChI=1S/C27H37NO4/c1-4-30-24-17-22(18-25(31-5-2)26(24)32-6-3)27(29)28-19-23(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7,9-10,13-14,17-18,21,23H,4-6,8,11-12,15-16,19H2,1-3H3,(H,28,29) |
| InChIKey | NWGYMBAIIKEDTI-UHFFFAOYSA-N |
| Molecular Weight | 439.596 g/mol |
| SMILES | C(C(C1CCCCC1)C1=CC=CC=C1)NC(=O)C=1C=C(C(=C(OCC)C1)OCC)OCC |