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4-(4-Chloro-3-fluoro-phenyl)-1-(2-thenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

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4-(4-Chloro-3-fluoro-phenyl)-1-(2-thenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EeUKrhG7Ifo
InChI InChI=1S/C20H17ClFNO4S/c1-26-19(24)14-10-23(9-13-4-3-7-28-13)11-15(20(25)27-2)18(14)12-5-6-16(21)17(22)8-12/h3-8,10-11,18H,9H2,1-2H3
InChIKey AAMMACMGYNCIHF-UHFFFAOYSA-N
Mol Weight 421.87 g/mol
Molecular Formula C20H17ClFNO4S
Exact Mass 421.055085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JE873IiPe4C
Name 3,5-pyridinedicarboxylic acid, 4-(4-chloro-3-fluorophenyl)-1,4-dihydro-1-(2-thienylmethyl)-, 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 421.055085064 u
Formula C20H17ClFNO4S
InChI InChI=1S/C20H17ClFNO4S/c1-26-19(24)14-10-23(9-13-4-3-7-28-13)11-15(20(25)27-2)18(14)12-5-6-16(21)17(22)8-12/h3-8,10-11,18H,9H2,1-2H3
InChIKey AAMMACMGYNCIHF-UHFFFAOYSA-N
Molecular Weight 421.870 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11198
Solvent DMSO-d6
Source Vendor ID: NMR/10251668; Lab Info: SAS; Lab Number: SAS-tst3706
Temperature 29.85 °C