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{2-chloro-4-[(E)-(1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID 46WVB3NLcUa
InChI InChI=1S/C21H17ClN2O6/c1-11-5-12(2)7-14(6-11)24-20(28)15(19(27)23-21(24)29)8-13-3-4-17(16(22)9-13)30-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b15-8+
InChIKey AWLJPVPMQXVPMY-OVCLIPMQSA-N
Mol Weight 428.83 g/mol
Molecular Formula C21H17ClN2O6
Exact Mass 428.077514 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ELm8rqYPctr
Name {2-chloro-4-[(E)-(1-(3,5-dimethylphenyl)-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/C21H17ClN2O6/c1-11-5-12(2)7-14(6-11)24-20(28)15(19(27)23-21(24)29)8-13-3-4-17(16(22)9-13)30-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b15-8+
InChIKey AWLJPVPMQXVPMY-OVCLIPMQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10050
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: 1001711; UBI_ID: UBI-010053
Synonyms {2-chloro-4-[(1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Temperature 318 °C