SpectraBase Spectrum ID |
ITsVeONCO7A |
Name |
N-4-Methoxyphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]-3-methylbenzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
442.262028341 u |
Formula |
C29H34N2O2 |
InChI |
InChI=1S/C29H34N2O2/c1-22-8-7-11-25(20-22)29(32)31(26-12-14-28(33-3)15-13-26)27-16-18-30(19-17-27)23(2)21-24-9-5-4-6-10-24/h4-15,20,23,27H,16-19,21H2,1-3H3 |
InChIKey |
OVOBOUDEMMIVLW-UHFFFAOYSA-N |
Molecular Weight |
442.603 g/mol |
SMILES |
C1(N(C(C=2C=C(C=CC2)C)=O)C=2C=CC(=CC2)OC)CCN(C(CC=2C=CC=CC2)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804687 |