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{2-chloro-4-[(E)-(1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenoxy}acetic acid

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{2-chloro-4-[(E)-(1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenoxy}acetic acid
SpectraBase Compound ID Dzv886sZlPC
InChI InChI=1S/C22H19ClN2O7/c1-11-4-12(2)6-14(5-11)25-21(29)15(20(28)24-22(25)30)7-13-8-16(23)19(17(9-13)31-3)32-10-18(26)27/h4-9H,10H2,1-3H3,(H,26,27)(H,24,28,30)/b15-7+
InChIKey AETNDOWLBPFKLN-VIZOYTHASA-N
Mol Weight 458.85 g/mol
Molecular Formula C22H19ClN2O7
Exact Mass 458.088079 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mIdBKoQkuh
Name {2-chloro-4-[(E)-(1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenoxy}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/C22H19ClN2O7/c1-11-4-12(2)6-14(5-11)25-21(29)15(20(28)24-22(25)30)7-13-8-16(23)19(17(9-13)31-3)32-10-18(26)27/h4-9H,10H2,1-3H3,(H,26,27)(H,24,28,30)/b15-7+
InChIKey AETNDOWLBPFKLN-VIZOYTHASA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14088
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: UZI/1010760; UBI_ID: UBI-014091
Synonyms {2-chloro-4-[(1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenoxy}acetic acid
Temperature 300 °C