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1H-isoindole-5-carboxylic acid, 2-[3-[[[(4Z)-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methylene]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-

View entire compound with spectra: 1 NMR

1H-isoindole-5-carboxylic acid, 2-[3-[[[(4Z)-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methylene]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-
SpectraBase Compound ID 6IJqQ3eVF9j
InChI InChI=1S/C33H19Cl3N4O8/c1-48-26-10-15(5-8-25(26)41)9-22-28(38-40(32(22)45)27-23(35)13-18(34)14-24(27)36)37-29(42)16-3-2-4-19(11-16)39-30(43)20-7-6-17(33(46)47)12-21(20)31(39)44/h2-14,41H,1H3,(H,46,47)(H,37,38,42)/b22-9-
InChIKey LBYPMKMHLWEBRH-AFPJDJCSSA-N
Mol Weight 705.9 g/mol
Molecular Formula C33H19Cl3N4O8
Exact Mass 704.026847 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 42889zc0xYx
Name 1H-isoindole-5-carboxylic acid, 2-[3-[[[(4Z)-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methylene]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 704.026846680 u
Formula C33H19Cl3N4O8
InChI InChI=1S/C33H19Cl3N4O8/c1-48-26-10-15(5-8-25(26)41)9-22-28(38-40(32(22)45)27-23(35)13-18(34)14-24(27)36)37-29(42)16-3-2-4-19(11-16)39-30(43)20-7-6-17(33(46)47)12-21(20)31(39)44/h2-14,41H,1H3,(H,46,47)(H,37,38,42)/b22-9-
InChIKey LBYPMKMHLWEBRH-AFPJDJCSSA-N
Molecular Weight 705.894 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7960
Solvent DMSO-d6
Source Vendor ID: NMR/9213544; Lab Info: KWN; Lab Number: KWN-JW00099
Temperature 29.85 °C