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3,5-pyridinedicarboxylic acid, 4-(2,5-difluorophenyl)-1,4-dihydro-1-(2-thienylmethyl)-, dimethyl ester
SpectraBase Compound ID 2AkYDSDcFKV
InChI InChI=1S/C20H17F2NO4S/c1-26-19(24)15-10-23(9-13-4-3-7-28-13)11-16(20(25)27-2)18(15)14-8-12(21)5-6-17(14)22/h3-8,10-11,18H,9H2,1-2H3
InChIKey WGDNNIOOZJOFTD-UHFFFAOYSA-N
Mol Weight 405.42 g/mol
Molecular Formula C20H17F2NO4S
Exact Mass 405.084636 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7AKd2nVrfXG
Name 3,5-pyridinedicarboxylic acid, 4-(2,5-difluorophenyl)-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 405.084635527 u
Formula C20H17F2NO4S
InChI InChI=1S/C20H17F2NO4S/c1-26-19(24)15-10-23(9-13-4-3-7-28-13)11-16(20(25)27-2)18(15)14-8-12(21)5-6-17(14)22/h3-8,10-11,18H,9H2,1-2H3
InChIKey WGDNNIOOZJOFTD-UHFFFAOYSA-N
Molecular Weight 405.416 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9569
Solvent DMSO-d6
Source Vendor ID: NMR/10241041; Lab Info: SAS; Lab Number: SAS-tst3622
Temperature 23.85 °C