| SpectraBase Spectrum ID |
8dkTMvyk2SQ |
| Name |
N-(4-Fluorophenyl)-N-(1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.201319790 u |
| Formula |
C26H26F2N2O |
| InChI |
InChI=1S/C26H26F2N2O/c27-22-8-6-20(7-9-22)14-17-29-18-15-25(16-19-29)30(24-12-10-23(28)11-13-24)26(31)21-4-2-1-3-5-21/h1-13,25H,14-19H2 |
| InChIKey |
VAXUNBLAFZBUDO-UHFFFAOYSA-N |
| Molecular Weight |
420.504 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C2)=O)C=2C=CC(=CC2)F)CCN(CC1)CCC1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867064 |