| SpectraBase Compound ID | KaPPYtySPvG |
|---|---|
| InChI | InChI=1S/C27H36N2O2/c30-25-19-11-10-18-24(25)27(21-12-4-1-5-13-21,20-28-22-14-6-2-7-15-22)26(31)29-23-16-8-3-9-17-23/h1,4-5,10-13,18-19,22-23,28,30H,2-3,6-9,14-17,20H2,(H,29,31) |
| InChIKey | ZIDZITVWXKRLBQ-UHFFFAOYSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C27H36N2O2 |
| Exact Mass | 420.277678 g/mol |
| SpectraBase Spectrum ID | 6iwC265UQlW |
|---|---|
| Name | N-Cyclohexyl-3-(cyclohexylamino)-2-(o-hydroxyphenyl)-2-phenylpropionamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.277678405 u |
| Formula | C27H36N2O2 |
| InChI | InChI=1S/C27H36N2O2/c30-25-19-11-10-18-24(25)27(21-12-4-1-5-13-21,20-28-22-14-6-2-7-15-22)26(31)29-23-16-8-3-9-17-23/h1,4-5,10-13,18-19,22-23,28,30H,2-3,6-9,14-17,20H2,(H,29,31) |
| InChIKey | ZIDZITVWXKRLBQ-UHFFFAOYSA-N |
| Molecular Weight | 420.597 g/mol |
| SMILES | OC=1C(C(C(NC2CCCCC2)=O)(CNC2CCCCC2)C=2C=CC=CC2)=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.732066 |