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3,5-pyridinedicarboxylic acid, 1-[(4-fluorophenyl)methyl]-1,4-dihydro-4-[4-(trifluoromethyl)phenyl]-, dimethyl ester
SpectraBase Compound ID EReD3miw3TJ
InChI InChI=1S/C23H19F4NO4/c1-31-21(29)18-12-28(11-14-3-9-17(24)10-4-14)13-19(22(30)32-2)20(18)15-5-7-16(8-6-15)23(25,26)27/h3-10,12-13,20H,11H2,1-2H3
InChIKey CVLVHBWNCFQNAI-UHFFFAOYSA-N
Mol Weight 449.4 g/mol
Molecular Formula C23H19F4NO4
Exact Mass 449.125021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BAo9OKbn3v
Name 3,5-pyridinedicarboxylic acid, 1-[(4-fluorophenyl)methyl]-1,4-dihydro-4-[4-(trifluoromethyl)phenyl]-, 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 449.125020744 u
Formula C23H19F4NO4
InChI InChI=1S/C23H19F4NO4/c1-31-21(29)18-12-28(11-14-3-9-17(24)10-4-14)13-19(22(30)32-2)20(18)15-5-7-16(8-6-15)23(25,26)27/h3-10,12-13,20H,11H2,1-2H3
InChIKey CVLVHBWNCFQNAI-UHFFFAOYSA-N
Molecular Weight 449.402 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9370
Solvent DMSO-d6
Source Vendor ID: NMR/10240524; Lab Info: SAS; Lab Number: SAS-tst3712
Temperature 29.85 °C