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5-pyrimidinecarboxylic acid, 4-(4-ethylphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID HAggUelsmQj
InChI InChI=1S/C22H22N2O5/c1-3-14-4-7-16(8-5-14)20-19(13(2)23-22(26)24-20)21(25)27-11-15-6-9-17-18(10-15)29-12-28-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)
InChIKey GILXKGFPSUZEON-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Mm2ZZkVGvr
Name 5-pyrimidinecarboxylic acid, 4-(4-ethylphenyl)-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/C22H22N2O5/c1-3-14-4-7-16(8-5-14)20-19(13(2)23-22(26)24-20)21(25)27-11-15-6-9-17-18(10-15)29-12-28-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)
InChIKey GILXKGFPSUZEON-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_454
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/11258229