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3-({4-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID HIZY0qstmUM
InChI InChI=1S/C22H20N2O7/c1-23-19(25)16(20(26)24(2)22(23)29)10-13-7-8-17(18(11-13)30-3)31-12-14-5-4-6-15(9-14)21(27)28/h4-11H,12H2,1-3H3,(H,27,28)
InChIKey PTVVKLXGQNCQHR-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C22H20N2O7
Exact Mass 424.127051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8TIUOHoSHV7
Name 3-({4-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
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/C22H20N2O7/c1-23-19(25)16(20(26)24(2)22(23)29)10-13-7-8-17(18(11-13)30-3)31-12-14-5-4-6-15(9-14)21(27)28/h4-11H,12H2,1-3H3,(H,27,28)
InChIKey PTVVKLXGQNCQHR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21197
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: UZI/9677828; UBI_ID: UBI-021201
Temperature 313 °C