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3-({4-[(E)-(1-(4-ethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID DHDmOa7Hcm7
InChI InChI=1S/C27H22N2O6/c1-2-17-6-10-21(11-7-17)29-25(31)23(24(30)28-27(29)34)15-18-8-12-22(13-9-18)35-16-19-4-3-5-20(14-19)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+
InChIKey IRNCXWCSDGNGGD-HZHRSRAPSA-N
Mol Weight 470.48 g/mol
Molecular Formula C27H22N2O6
Exact Mass 470.147786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EBQpX1CoR2g
Name 3-({4-[(E)-(1-(4-ethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}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/C27H22N2O6/c1-2-17-6-10-21(11-7-17)29-25(31)23(24(30)28-27(29)34)15-18-8-12-22(13-9-18)35-16-19-4-3-5-20(14-19)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+
InChIKey IRNCXWCSDGNGGD-HZHRSRAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11855
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: 1003780; UBI_ID: UBI-011858
Synonyms 3-({4-[(1-(4-ethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
Temperature 318 °C