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5-pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID 7xFKCeTbDJR
InChI InChI=1S/C22H22N2O7/c1-3-28-17-9-14(5-6-15(17)25)20-19(12(2)23-22(27)24-20)21(26)29-10-13-4-7-16-18(8-13)31-11-30-16/h4-9,20,25H,3,10-11H2,1-2H3,(H2,23,24,27)
InChIKey PQWQITBQKOXZAS-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C22H22N2O7
Exact Mass 426.142701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7LxpWizCIs
Name 5-pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H22N2O7/c1-3-28-17-9-14(5-6-15(17)25)20-19(12(2)23-22(27)24-20)21(26)29-10-13-4-7-16-18(8-13)31-11-30-16/h4-9,20,25H,3,10-11H2,1-2H3,(H2,23,24,27)
InChIKey PQWQITBQKOXZAS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_372
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11258089