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1-(4-fluorophenyl)-7-(2-thienyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID KloSIMLcj2s
InChI InChI=1S/C18H9F7N4O2S/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 JHTGQXWAHGCPLU-UHFFFAOYSA-N
Mol Weight 478.34 g/mol
Molecular Formula C18H9F7N4O2S
Exact Mass 478.033444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B57D0SluK5C
Name 1-(4-fluorophenyl)-7-(2-thienyl)-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/C18H9F7N4O2S/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 JHTGQXWAHGCPLU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20258
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: D16456; Labnumber: SOK-1302; SBI_ID: SBI-020262
Temperature 315 °C