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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene]-1,3-dimethyl-
SpectraBase Compound ID DGSKoJabIql
InChI InChI=1S/C22H20N4O5/c1-23-20(27)17(21(28)24(2)22(23)29)11-14-7-8-18(19(12-14)26(30)31)25-10-9-15-5-3-4-6-16(15)13-25/h3-8,11-12H,9-10,13H2,1-2H3
InChIKey FFLMZWBIQGLOHZ-UHFFFAOYSA-N
Mol Weight 420.43 g/mol
Molecular Formula C22H20N4O5
Exact Mass 420.14337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 704xJHymaya
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene]-1,3-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.143369755 u
Formula C22H20N4O5
InChI InChI=1S/C22H20N4O5/c1-23-20(27)17(21(28)24(2)22(23)29)11-14-7-8-18(19(12-14)26(30)31)25-10-9-15-5-3-4-6-16(15)13-25/h3-8,11-12H,9-10,13H2,1-2H3
InChIKey FFLMZWBIQGLOHZ-UHFFFAOYSA-N
Molecular Weight 420.425 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5002
Solvent DMSO-d6
Source Vendor ID: NMR/9263680; Lab Info: LP; Lab Number: LP-2902067