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1H-isoindole-5-carboxylic acid, 2-[3-[[[(4E)-4-[[4-(dimethylamino)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-(dimethylamino)phenyl]methylene]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-
SpectraBase Compound ID IFiv4ryk1rF
InChI InChI=1S/C34H22Cl3N5O6/c1-40(2)21-9-6-17(7-10-21)12-25-29(39-42(33(25)46)28-26(36)15-20(35)16-27(28)37)38-30(43)18-4-3-5-22(13-18)41-31(44)23-11-8-19(34(47)48)14-24(23)32(41)45/h3-16H,1-2H3,(H,47,48)(H,38,39,43)/b25-12+
InChIKey OPZSNIUEMWLXCC-BRJLIKDPSA-N
Mol Weight 702.9 g/mol
Molecular Formula C34H22Cl3N5O6
Exact Mass 701.063567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wQcLJkQnd8
Name 1H-isoindole-5-carboxylic acid, 2-[3-[[[(4E)-4-[[4-(dimethylamino)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 701.063566542 u
Formula C34H22Cl3N5O6
InChI InChI=1S/C34H22Cl3N5O6/c1-40(2)21-9-6-17(7-10-21)12-25-29(39-42(33(25)46)28-26(36)15-20(35)16-27(28)37)38-30(43)18-4-3-5-22(13-18)41-31(44)23-11-8-19(34(47)48)14-24(23)32(41)45/h3-16H,1-2H3,(H,47,48)(H,38,39,43)/b25-12+
InChIKey OPZSNIUEMWLXCC-BRJLIKDPSA-N
Molecular Weight 702.938 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7959
Solvent DMSO-d6
Source Vendor ID: NMR/9213537; Lab Info: KWN; Lab Number: KWN-JW00092
Temperature 29.85 °C