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methyl 4-[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoate
SpectraBase Compound ID AcS7FBxT5Ru
InChI InChI=1S/C21H18N2O5/c1-12-4-9-16(10-13(12)2)23-19(25)17(18(24)22-21(23)27)11-14-5-7-15(8-6-14)20(26)28-3/h4-11H,1-3H3,(H,22,24,27)/b17-11+
InChIKey WZAZEHVLGZXNHP-GZTJUZNOSA-N
Mol Weight 378.38 g/mol
Molecular Formula C21H18N2O5
Exact Mass 378.121572 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6TuK2BrB99K
Name methyl 4-[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoate
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/C21H18N2O5/c1-12-4-9-16(10-13(12)2)23-19(25)17(18(24)22-21(23)27)11-14-5-7-15(8-6-14)20(26)28-3/h4-11H,1-3H3,(H,22,24,27)/b17-11+
InChIKey WZAZEHVLGZXNHP-GZTJUZNOSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11250
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: 1003087; UBI_ID: UBI-011253
Synonyms methyl 4-[(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoate
Temperature 308 °C