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4-chloro-3-{5-[(E)-(1-(3-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID HaECRnwKgte
InChI InChI=1S/C24H17ClN2O7/c1-2-33-15-5-3-4-14(11-15)27-22(29)18(21(28)26-24(27)32)12-16-7-9-20(34-16)17-10-13(23(30)31)6-8-19(17)25/h3-12H,2H2,1H3,(H,30,31)(H,26,28,32)/b18-12+
InChIKey BOWUNTUMNPGHIU-LDADJPATSA-N
Mol Weight 480.86 g/mol
Molecular Formula C24H17ClN2O7
Exact Mass 480.072429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JhGuEcsEV13
Name 4-chloro-3-{5-[(E)-(1-(3-ethoxyphenyl)-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/C24H17ClN2O7/c1-2-33-15-5-3-4-14(11-15)27-22(29)18(21(28)26-24(27)32)12-16-7-9-20(34-16)17-10-13(23(30)31)6-8-19(17)25/h3-12H,2H2,1H3,(H,30,31)(H,26,28,32)/b18-12+
InChIKey BOWUNTUMNPGHIU-LDADJPATSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11860
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: 1004015; UBI_ID: UBI-011863
Synonyms 4-chloro-3-{5-[(1-(3-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 318 °C