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3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-[(4-methylphenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]-, dimethyl ester
SpectraBase Compound ID CULrQ6N738D
InChI InChI=1S/C24H22F3NO5/c1-15-4-6-16(7-5-15)12-28-13-19(22(29)31-2)21(20(14-28)23(30)32-3)17-8-10-18(11-9-17)33-24(25,26)27/h4-11,13-14,21H,12H2,1-3H3
InChIKey YAZBRIWLDMBTCF-UHFFFAOYSA-N
Mol Weight 461.44 g/mol
Molecular Formula C24H22F3NO5
Exact Mass 461.145007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IYj5KRzhNgt
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-[(4-methylphenyl)methyl]-4-[4-(trifluoromethoxy)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 461.145007296 u
Formula C24H22F3NO5
InChI InChI=1S/C24H22F3NO5/c1-15-4-6-16(7-5-15)12-28-13-19(22(29)31-2)21(20(14-28)23(30)32-3)17-8-10-18(11-9-17)33-24(25,26)27/h4-11,13-14,21H,12H2,1-3H3
InChIKey YAZBRIWLDMBTCF-UHFFFAOYSA-N
Molecular Weight 461.437 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8856
Solvent DMSO-d6
Source Vendor ID: NMR/10230918; Lab Info: SAS; Lab Number: SAS-tst3580
Temperature 23.85 °C