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3,5-pyridinedicarboxylic acid, 1-[(4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-1,4-dihydro-, dimethyl ester
SpectraBase Compound ID 133gDKiThl6
InChI InChI=1S/C22H18Cl3NO4/c1-29-21(27)16-11-26(10-13-3-6-15(23)7-4-13)12-17(22(28)30-2)20(16)14-5-8-18(24)19(25)9-14/h3-9,11-12,20H,10H2,1-2H3
InChIKey CSMRRTADSAYKOT-UHFFFAOYSA-N
Mol Weight 466.75 g/mol
Molecular Formula C22H18Cl3NO4
Exact Mass 465.030141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKNvxojU1Zp
Name 3,5-pyridinedicarboxylic acid, 1-[(4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-1,4-dihydro-, dimethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.030141160 u
Formula C22H18Cl3NO4
InChI InChI=1S/C22H18Cl3NO4/c1-29-21(27)16-11-26(10-13-3-6-15(23)7-4-13)12-17(22(28)30-2)20(16)14-5-8-18(24)19(25)9-14/h3-9,11-12,20H,10H2,1-2H3
InChIKey CSMRRTADSAYKOT-UHFFFAOYSA-N
Molecular Weight 466.748 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9567
Solvent DMSO-d6
Source Vendor ID: NMR/10241038; Lab Info: SAS; Lab Number: SAS-tst3619
Temperature 23.85 °C