SpectraBase Spectrum ID |
lxPx45iYus |
Name |
1-{4-[(1Z)-1-Phenyl-3-piperidin-1-ylprop-1-en-1-yl]phenyl}ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
319.193614428 u |
Formula |
C22H25NO |
InChI |
InChI=1S/C22H25NO/c1-18(24)19-10-12-21(13-11-19)22(20-8-4-2-5-9-20)14-17-23-15-6-3-7-16-23/h2,4-5,8-14H,3,6-7,15-17H2,1H3/b22-14- |
InChIKey |
JHAWMAHRYSOLCV-HMAPJEAMSA-N |
Molecular Weight |
319.448 g/mol |
SMILES |
C(N1CCCCC1)\C=C/(C=1C=CC(=CC1)C(=O)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828379 |