SpectraBase Spectrum ID |
Kg0Jx6VymAm |
Name |
Pyrrolidine-3-carboxamide, 5-oxo-1-phenyl-N-(3-chlorophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.082205429 u |
Formula |
C17H15ClN2O2 |
InChI |
InChI=1S/C17H15ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22) |
InChIKey |
CMNQHDYAXMXRDF-UHFFFAOYSA-N |
Molecular Weight |
314.772 g/mol |
SMILES |
C1=CC=C(N2C(CC(C2)C(NC2=CC(Cl)=CC=C2)=O)=O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926204 |