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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene]-
SpectraBase Compound ID b0taaH4NaW
InChI InChI=1S/C20H16N4O5/c25-18-15(19(26)22-20(27)21-18)9-12-5-6-16(17(10-12)24(28)29)23-8-7-13-3-1-2-4-14(13)11-23/h1-6,9-10H,7-8,11H2,(H2,21,22,25,26,27)
InChIKey QJEZKCQRCSJWFL-UHFFFAOYSA-N
Mol Weight 392.37 g/mol
Molecular Formula C20H16N4O5
Exact Mass 392.11207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLWY2kckxrU
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.112069626 u
Formula C20H16N4O5
InChI InChI=1S/C20H16N4O5/c25-18-15(19(26)22-20(27)21-18)9-12-5-6-16(17(10-12)24(28)29)23-8-7-13-3-1-2-4-14(13)11-23/h1-6,9-10H,7-8,11H2,(H2,21,22,25,26,27)
InChIKey QJEZKCQRCSJWFL-UHFFFAOYSA-N
Molecular Weight 392.371 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9131
Solvent DMSO-d6
Source Vendor ID: NMR/9263678; Lab Info: LP; Lab Number: LP-2902065