SpectraBase Spectrum ID |
Lruk1xQXYPZ |
Name |
2-(2-Fluorophenyl)-N-(1-methylphenylpiperidin-4-yl)-N-phenylacetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
402.210741659 u |
Formula |
C26H27FN2O |
InChI |
InChI=1S/C26H27FN2O/c27-25-14-8-7-11-22(25)19-26(30)29(23-12-5-2-6-13-23)24-15-17-28(18-16-24)20-21-9-3-1-4-10-21/h1-14,24H,15-20H2 |
InChIKey |
VDJCJQLAIITMAY-UHFFFAOYSA-N |
Molecular Weight |
402.513 g/mol |
SMILES |
C1(N(C=2C=CC=CC2)C(CC=2C(=CC=CC2)F)=O)CCN(CC=2C=CC=CC2)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836714 |