| SpectraBase Spectrum ID |
3FlSpSa6kiF |
| Name |
1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one, isomer 2 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.177964364 u |
| Formula |
C21H23NO |
| InChI |
InChI=1S/C21H23NO/c23-21(19-12-6-2-7-13-19)20(16-18-10-4-1-5-11-18)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2/b20-16- |
| InChIKey |
UBMWIWOZOGGSGI-SILNSSARSA-N |
| Molecular Weight |
305.421 g/mol |
| SMILES |
C(\C(=C/C1=CC=CC=C1)CN1CCCCC1)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967469 |
