SpectraBase Spectrum ID |
LEfymzbKNzx |
Name |
N-3-Methylphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]isobutanamide |
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/c1-19(2)25(28)27(24-12-8-9-20(3)17-24)23-13-15-26(16-14-23)21(4)18-22-10-6-5-7-11-22/h5-12,17,19,21,23H,13-16,18H2,1-4H3 |
InChIKey |
KGZJWOOWOMHMPJ-UHFFFAOYSA-N |
Molecular Weight |
378.560 g/mol |
SMILES |
C=1(N(C2CCN(C(CC=3C=CC=CC3)C)CC2)C(C(C)C)=O)C=C(C=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944155 |