SpectraBase Spectrum ID |
78FJG7BUrNy |
Name |
N-(3-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
378.267113722 u |
Formula |
C25H34N2O |
InChI |
InChI=1S/C25H34N2O/c1-3-4-13-25(28)27(24-12-8-9-21(2)20-24)23-15-18-26(19-16-23)17-14-22-10-6-5-7-11-22/h5-12,20,23H,3-4,13-19H2,1-2H3 |
InChIKey |
XRXGMNPGYREDBS-UHFFFAOYSA-N |
Molecular Weight |
378.560 g/mol |
SMILES |
C1(N(C2=CC(=CC=C2)C)C(CCCC)=O)CCN(CC1)CCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854729 |