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1-(4-fluorophenyl)-7-(2-furyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID I6laR3rufUW
InChI InChI=1S/C18H9F7N4O3/c19-8-3-5-9(6-4-8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-2-1-7-32-10/h1-7H,(H,26,28)(H,27,30,31)
InChIKey CGISLAWXNYSJGQ-UHFFFAOYSA-N
Mol Weight 462.28 g/mol
Molecular Formula C18H9F7N4O3
Exact Mass 462.056287 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LqcJ4zZuV54
Name 1-(4-fluorophenyl)-7-(2-furyl)-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/C18H9F7N4O3/c19-8-3-5-9(6-4-8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-2-1-7-32-10/h1-7H,(H,26,28)(H,27,30,31)
InChIKey CGISLAWXNYSJGQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25488
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: D49895; Labnumber: SOK-1618; SBI_ID: SBI-025492
Temperature 315 °C