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1,3-dimethyl-7-(4-pyridinyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

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1,3-dimethyl-7-(4-pyridinyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID A6tYa9dM1ZD
InChI InChI=1S/C15H11F6N5O2/c1-25-10-8(11(27)26(2)12(25)28)13(14(16,17)18,15(19,20)21)24-9(23-10)7-3-5-22-6-4-7/h3-6H,1-2H3,(H,23,24)
InChIKey QJYHNKCBZSBCFI-UHFFFAOYSA-N
Mol Weight 407.28 g/mol
Molecular Formula C15H11F6N5O2
Exact Mass 407.081694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5E8OAZFUttP
Name 1,3-dimethyl-7-(4-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/C15H11F6N5O2/c1-25-10-8(11(27)26(2)12(25)28)13(14(16,17)18,15(19,20)21)24-9(23-10)7-3-5-22-6-4-7/h3-6H,1-2H3,(H,23,24)
InChIKey QJYHNKCBZSBCFI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25527
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: D49940; Labnumber: SOK-1724; SBI_ID: SBI-025531
Temperature 315 °C