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1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 1GcBTOgnRm8
InChI InChI=1S/C21H13F7N4O2/c1-10-2-4-11(5-3-10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-8-6-12(22)7-9-13/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey UVWNKIZDVOMCKS-UHFFFAOYSA-N
Mol Weight 486.35 g/mol
Molecular Formula C21H13F7N4O2
Exact Mass 486.092673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D9jypgZU1kg
Name 1-(4-fluorophenyl)-7-(4-methylphenyl)-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/C21H13F7N4O2/c1-10-2-4-11(5-3-10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-8-6-12(22)7-9-13/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey UVWNKIZDVOMCKS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25489
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: D49896; Labnumber: SOK-1619; SBI_ID: SBI-025493
Temperature 315 °C