For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JQz43PhHPxF
InChI InChI=1S/C23H20FNO6/c1-28-22(26)17-11-25(10-14-3-6-16(24)7-4-14)12-18(23(27)29-2)21(17)15-5-8-19-20(9-15)31-13-30-19/h3-9,11-12,21H,10,13H2,1-2H3
InChIKey IUTLHVIGSMOSQA-UHFFFAOYSA-N
Mol Weight 425.41 g/mol
Molecular Formula C23H20FNO6
Exact Mass 425.127466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HKP3zfwX0w
Name 3,5-pyridinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-1,4-dihydro-, 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 425.127465525 u
Formula C23H20FNO6
InChI InChI=1S/C23H20FNO6/c1-28-22(26)17-11-25(10-14-3-6-16(24)7-4-14)12-18(23(27)29-2)21(17)15-5-8-19-20(9-15)31-13-30-19/h3-9,11-12,21H,10,13H2,1-2H3
InChIKey IUTLHVIGSMOSQA-UHFFFAOYSA-N
Molecular Weight 425.412 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11190
Solvent DMSO-d6
Source Vendor ID: NMR/10251651; Lab Info: SAS; Lab Number: SAS-tst3687
Temperature 29.85 °C