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(5E)-1-allyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione

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(5E)-1-allyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID GpLEza5DJuG
InChI InChI=1S/C21H23N5O4/c1-5-12-25-19(28)16(18(27)23-21(25)30)15(6-2)22-17-13(3)24(4)26(20(17)29)14-10-8-7-9-11-14/h5,7-11,22H,1,6,12H2,2-4H3,(H,23,27,30)/b16-15+
InChIKey WSULMUKHBYXBPV-FOCLMDBBSA-N
Mol Weight 409.45 g/mol
Molecular Formula C21H23N5O4
Exact Mass 409.175004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EPavvwvqDzZ
Name (5E)-1-allyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C21H23N5O4/c1-5-12-25-19(28)16(18(27)23-21(25)30)15(6-2)22-17-13(3)24(4)26(20(17)29)14-10-8-7-9-11-14/h5,7-11,22H,1,6,12H2,2-4H3,(H,23,27,30)/b16-15+
InChIKey WSULMUKHBYXBPV-FOCLMDBBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10718
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: E02963; Labnumber: KKA-0212A-0842; SBI_ID: SBI-010721
Synonyms 1-allyl-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C