SpectraBase Spectrum ID |
1Re9qzcRqW4 |
Name |
N-Benzoyl-3,3-bis(3-chlorophenyl)prop-2-en-1-ylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
381.068719570 u |
Formula |
C22H17Cl2NO |
InChI |
InChI=1S/C22H17Cl2NO/c23-19-10-4-8-17(14-19)21(18-9-5-11-20(24)15-18)12-13-25-22(26)16-6-2-1-3-7-16/h1-12,14-15H,13H2,(H,25,26) |
InChIKey |
RJINAXDPLSJEEW-UHFFFAOYSA-N |
Molecular Weight |
382.290 g/mol |
SMILES |
C(C=1C=C(Cl)C=CC1)(C=1C=C(Cl)C=CC1)=CCNC(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887676 |