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2-{4-[(Z)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}propanoic acid
SpectraBase Compound ID A6BSaOdtj58
InChI InChI=1S/C21H18N2O6/c1-12-4-3-5-15(10-12)23-19(25)17(18(24)22-21(23)28)11-14-6-8-16(9-7-14)29-13(2)20(26)27/h3-11,13H,1-2H3,(H,26,27)(H,22,24,28)/b17-11-
InChIKey NISXBIXFMSVWGO-BOPFTXTBSA-N
Mol Weight 394.38 g/mol
Molecular Formula C21H18N2O6
Exact Mass 394.116486 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Sm2apOzzyO
Name 2-{4-[(Z)-(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}propanoic 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/C21H18N2O6/c1-12-4-3-5-15(10-12)23-19(25)17(18(24)22-21(23)28)11-14-6-8-16(9-7-14)29-13(2)20(26)27/h3-11,13H,1-2H3,(H,26,27)(H,22,24,28)/b17-11-
InChIKey NISXBIXFMSVWGO-BOPFTXTBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3563
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: 113195; Labnumber: PAVL-218221; VK_ID: VK-003564
Synonyms 2-{4-[(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}propanoic acid
Temperature 308 °C