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1-(4-methylphenyl)-7-(3-pyridinyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 8HfiQHe1bBM
InChI InChI=1S/C20H13F6N5O2/c1-10-4-6-12(7-5-10)31-15-13(16(32)29-17(31)33)18(19(21,22)23,20(24,25)26)30-14(28-15)11-3-2-8-27-9-11/h2-9H,1H3,(H,28,30)(H,29,32,33)
InChIKey AGISZQHIZLRIDO-UHFFFAOYSA-N
Mol Weight 469.35 g/mol
Molecular Formula C20H13F6N5O2
Exact Mass 469.097344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KkL4VVrby9r
Name 1-(4-methylphenyl)-7-(3-pyridinyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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/C20H13F6N5O2/c1-10-4-6-12(7-5-10)31-15-13(16(32)29-17(31)33)18(19(21,22)23,20(24,25)26)30-14(28-15)11-3-2-8-27-9-11/h2-9H,1H3,(H,28,30)(H,29,32,33)
InChIKey AGISZQHIZLRIDO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5646
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: D23488; Labnumber: SOK-1370; SBI_ID: SBI-005648
Temperature 318 °C