SpectraBase Spectrum ID |
B3Gp60V2a40 |
Name |
N-(3-Chlorophenyl)-3-phenyl-2-propenamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
257.060741709 u |
Formula |
C15H12ClNO |
InChI |
InChI=1S/C15H12ClNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)/b10-9+ |
InChIKey |
ZUKRPXSFAZWKHZ-MDZDMXLPSA-N |
Molecular Weight |
257.720 g/mol |
SMILES |
C1(Cl)=CC(=CC=C1)NC(=O)\C=C\C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953573 |