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4-({4-[(E)-(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID 2MblJWjAkfB
InChI InChI=1S/C27H22N2O7/c1-2-35-21-13-9-20(10-14-21)29-25(31)23(24(30)28-27(29)34)15-17-5-11-22(12-6-17)36-16-18-3-7-19(8-4-18)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+
InChIKey LBZMWEODGUDEKK-HZHRSRAPSA-N
Mol Weight 486.48 g/mol
Molecular Formula C27H22N2O7
Exact Mass 486.142701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GrztPRSCf5N
Name 4-({4-[(E)-(1-(4-ethoxyphenyl)-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/C27H22N2O7/c1-2-35-21-13-9-20(10-14-21)29-25(31)23(24(30)28-27(29)34)15-17-5-11-22(12-6-17)36-16-18-3-7-19(8-4-18)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+
InChIKey LBZMWEODGUDEKK-HZHRSRAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9418
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: 133381; Labnumber: AREF2K-0754; VK_ID: VK-009422
Synonyms 4-({4-[(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
Temperature 318 °C