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

*Links on SpectraBase are not permalinks.
1H-isoindol-1-one, 2-[(2-chlorophenyl)methyl]-2,3-dihydro-3-[[3-(trifluoromethyl)phenyl]amino]-
SpectraBase Compound ID JtgJATmjGmq
InChI InChI=1S/C22H16ClF3N2O/c23-19-11-4-1-6-14(19)13-28-20(17-9-2-3-10-18(17)21(28)29)27-16-8-5-7-15(12-16)22(24,25)26/h1-12,20,27H,13H2
InChIKey MLLIGIHSIMOFEU-UHFFFAOYSA-N
Mol Weight 416.83 g/mol
Molecular Formula C22H16ClF3N2O
Exact Mass 416.090325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9yCv5LknuIE
Name 1H-isoindol-1-one, 2-[(2-chlorophenyl)methyl]-2,3-dihydro-3-[[3-(trifluoromethyl)phenyl]amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.090325331 u
Formula C22H16ClF3N2O
InChI InChI=1S/C22H16ClF3N2O/c23-19-11-4-1-6-14(19)13-28-20(17-9-2-3-10-18(17)21(28)29)27-16-8-5-7-15(12-16)22(24,25)26/h1-12,20,27H,13H2
InChIKey MLLIGIHSIMOFEU-UHFFFAOYSA-N
Molecular Weight 416.831 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2817
Solvent DMSO-d6
Source Vendor ID: NMR/12689201