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4-chloro-3-{5-[(E)-(1-(2-ethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID K4MB0QwQ65A
InChI InChI=1S/C24H17ClN2O6/c1-2-13-5-3-4-6-19(13)27-22(29)17(21(28)26-24(27)32)12-15-8-10-20(33-15)16-11-14(23(30)31)7-9-18(16)25/h3-12H,2H2,1H3,(H,30,31)(H,26,28,32)/b17-12+
InChIKey VTKVTNMCYFDSLS-SFQUDFHCSA-N
Mol Weight 464.86 g/mol
Molecular Formula C24H17ClN2O6
Exact Mass 464.077514 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHgj6uTd6Ti
Name 4-chloro-3-{5-[(E)-(1-(2-ethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}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/C24H17ClN2O6/c1-2-13-5-3-4-6-19(13)27-22(29)17(21(28)26-24(27)32)12-15-8-10-20(33-15)16-11-14(23(30)31)7-9-18(16)25/h3-12H,2H2,1H3,(H,30,31)(H,26,28,32)/b17-12+
InChIKey VTKVTNMCYFDSLS-SFQUDFHCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11857
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: 1003981; UBI_ID: UBI-011860
Synonyms 4-chloro-3-{5-[(1-(2-ethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 318 °C