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1H-isoindole-5-carboxylic acid, 2-[3-[[[(4E)-4-[[4-(diethylamino)phenyl]methylene]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-

View entire compound with spectra: 1 NMR

1H-isoindole-5-carboxylic acid, 2-[3-[[[(4E)-4-[[4-(diethylamino)phenyl]methylene]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-
SpectraBase Compound ID GLwGZklplCz
InChI InChI=1S/C36H26Cl3N5O6/c1-3-42(4-2)23-11-8-19(9-12-23)14-27-31(41-44(35(27)48)30-28(38)17-22(37)18-29(30)39)40-32(45)20-6-5-7-24(15-20)43-33(46)25-13-10-21(36(49)50)16-26(25)34(43)47/h5-18H,3-4H2,1-2H3,(H,49,50)(H,40,41,45)/b27-14+
InChIKey FNKVVTHQQKIHQK-MZJWZYIUSA-N
Mol Weight 731.0 g/mol
Molecular Formula C36H26Cl3N5O6
Exact Mass 729.094867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3PeS2p4qHCX
Name 1H-isoindole-5-carboxylic acid, 2-[3-[[[(4E)-4-[[4-(diethylamino)phenyl]methylene]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 729.094866671 u
Formula C36H26Cl3N5O6
InChI InChI=1S/C36H26Cl3N5O6/c1-3-42(4-2)23-11-8-19(9-12-23)14-27-31(41-44(35(27)48)30-28(38)17-22(37)18-29(30)39)40-32(45)20-6-5-7-24(15-20)43-33(46)25-13-10-21(36(49)50)16-26(25)34(43)47/h5-18H,3-4H2,1-2H3,(H,49,50)(H,40,41,45)/b27-14+
InChIKey FNKVVTHQQKIHQK-MZJWZYIUSA-N
Molecular Weight 730.992 g/mol
NMR Offset 18.0043
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7958
Solvent DMSO-d6
Source Vendor ID: NMR/9213535; Lab Info: KWN; Lab Number: KWN-JW00090
Temperature 29.85 °C