For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(1,3-diketo-4H-isoquinolin-2-yl)-N-phenyl-benzamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(1,3-diketo-4H-isoquinolin-2-yl)-N-phenyl-benzamide
SpectraBase Compound ID pyNiedPYGi
InChI InChI=1S/C22H16N2O3/c25-20-14-15-8-4-5-11-17(15)22(27)24(20)19-13-7-6-12-18(19)21(26)23-16-9-2-1-3-10-16/h1-13H,14H2,(H,23,26)
InChIKey HZCMOSLBBBVUFL-UHFFFAOYSA-N
Mol Weight 356.38 g/mol
Molecular Formula C22H16N2O3
Exact Mass 356.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KrTxxwV3JCW
Name 2-(1,3-Diketo-4H-isoquinolin-2-yl)-N-phenyl-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.116092380 u
Formula C22H16N2O3
InChI InChI=1S/C22H16N2O3/c25-20-14-15-8-4-5-11-17(15)22(27)24(20)19-13-7-6-12-18(19)21(26)23-16-9-2-1-3-10-16/h1-13H,14H2,(H,23,26)
InChIKey HZCMOSLBBBVUFL-UHFFFAOYSA-N
Molecular Weight 356.381 g/mol
SMILES C1(N(C(CC2=CC=CC=C12)=O)C=1C(C(NC=2C=CC=CC2)=O)=CC=CC1)=O