SpectraBase Spectrum ID |
LETJ9PQXDVo |
Name |
3,3-bis-(Cyclohexylamino)-1-(phenyl)-prop-2-en-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.235813593 u |
Formula |
C21H30N2O |
InChI |
InChI=1S/C21H30N2O/c24-20(17-10-4-1-5-11-17)16-21(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19,22-23H,2-3,6-9,12-15H2 |
InChIKey |
AJRVPRZRHPXAMC-UHFFFAOYSA-N |
Molecular Weight |
326.484 g/mol |
SMILES |
C(=O)(C=C(NC1CCCCC1)NC1CCCCC1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9066 |