| SpectraBase Spectrum ID |
LogyHPDfcJr |
| Name |
N-(4-Fluorophenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)cyclohexa-2,5-diene-1-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.242041788 u |
| Formula |
C27H31FN2O |
| InChI |
InChI=1S/C27H31FN2O/c1-21-7-5-6-10-26(21)27(31)30(24-13-11-23(28)12-14-24)25-16-19-29(20-17-25)18-15-22-8-3-2-4-9-22/h2-4,6-14,25-26H,5,15-20H2,1H3 |
| InChIKey |
FVZFJTWGAJJKLB-UHFFFAOYSA-N |
| Molecular Weight |
418.556 g/mol |
| SMILES |
C(N(C1CCN(CC1)CCC=1C=CC=CC1)C1=CC=C(C=C1)F)(C1C(=CCC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895103 |
