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{4-[(E)-(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID 4sLstOic68s
InChI InChI=1S/C21H18N2O7/c1-2-29-15-9-5-14(6-10-15)23-20(27)17(19(26)22-21(23)28)11-13-3-7-16(8-4-13)30-12-18(24)25/h3-11H,2,12H2,1H3,(H,24,25)(H,22,26,28)/b17-11+
InChIKey OKQGZIGFXGMBLY-GZTJUZNOSA-N
Mol Weight 410.38 g/mol
Molecular Formula C21H18N2O7
Exact Mass 410.111401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C2yffyn2fIq
Name {4-[(E)-(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic 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/C21H18N2O7/c1-2-29-15-9-5-14(6-10-15)23-20(27)17(19(26)22-21(23)28)11-13-3-7-16(8-4-13)30-12-18(24)25/h3-11H,2,12H2,1H3,(H,24,25)(H,22,26,28)/b17-11+
InChIKey OKQGZIGFXGMBLY-GZTJUZNOSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2914
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: 120066; Labnumber: KKA001-0000827; VK_ID: VK-002915
Synonyms {4-[(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Temperature 308 °C