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1,3-benzenedicarboxylic acid, 5-[2,5-dimethyl-3-[(E)-(tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl]-
SpectraBase Compound ID LIo5LVF9BJ4
InChI InChI=1S/C26H21N3O7/c1-13-4-6-19(7-5-13)29-23(31)21(22(30)27-26(29)36)12-16-8-14(2)28(15(16)3)20-10-17(24(32)33)9-18(11-20)25(34)35/h4-12H,1-3H3,(H,32,33)(H,34,35)(H,27,30,36)/b21-12+
InChIKey KJRLODIKLNROKQ-CIAFOILYSA-N
Mol Weight 487.47 g/mol
Molecular Formula C26H21N3O7
Exact Mass 487.13795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EurF1kWu8z7
Name 1,3-benzenedicarboxylic acid, 5-[2,5-dimethyl-3-[(E)-(tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl]-
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/C26H21N3O7/c1-13-4-6-19(7-5-13)29-23(31)21(22(30)27-26(29)36)12-16-8-14(2)28(15(16)3)20-10-17(24(32)33)9-18(11-20)25(34)35/h4-12H,1-3H3,(H,32,33)(H,34,35)(H,27,30,36)/b21-12+
InChIKey KJRLODIKLNROKQ-CIAFOILYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1227
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/11259370