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

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID ILHBLRJQT8d
InChI InChI=1S/C21H20N2O7/c1-11-18(20(25)28-9-12-3-6-15-17(7-12)30-10-29-15)19(23-21(26)22-11)13-4-5-14(24)16(8-13)27-2/h3-8,19,24H,9-10H2,1-2H3,(H2,22,23,26)
InChIKey IBCSITVKRADQAN-UHFFFAOYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C21H20N2O7
Exact Mass 412.127051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GWQ3khZNWa0
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-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/C21H20N2O7/c1-11-18(20(25)28-9-12-3-6-15-17(7-12)30-10-29-15)19(23-21(26)22-11)13-4-5-14(24)16(8-13)27-2/h3-8,19,24H,9-10H2,1-2H3,(H2,22,23,26)
InChIKey IBCSITVKRADQAN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_415
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/11258176