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4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester

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4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID IFK2MFMMi4m
InChI InChI=1S/C25H25NO6/c1-4-29-24(27)19-13-26(18-9-6-16(3)7-10-18)14-20(25(28)30-5-2)23(19)17-8-11-21-22(12-17)32-15-31-21/h6-14,23H,4-5,15H2,1-3H3
InChIKey PVVRZZWHRHTMTH-UHFFFAOYSA-N
Mol Weight 435.48 g/mol
Molecular Formula C25H25NO6
Exact Mass 435.168188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7bwqVP0cYyK
Name 3,5-pyridinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4-dihydro-1-(4-methylphenyl)-, diethyl 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 435.168187523 u
Formula C25H25NO6
InChI InChI=1S/C25H25NO6/c1-4-29-24(27)19-13-26(18-9-6-16(3)7-10-18)14-20(25(28)30-5-2)23(19)17-8-11-21-22(12-17)32-15-31-21/h6-14,23H,4-5,15H2,1-3H3
InChIKey PVVRZZWHRHTMTH-UHFFFAOYSA-N
Molecular Weight 435.476 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7439
Solvent DMSO-d6
Source Vendor ID: NMR/10230283; Lab Info: SAS; Lab Number: SAS-tst3516
Temperature 23.85 °C