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

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1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 3xOK0uj413E
InChI InChI=1S/C20H15F7N6O2/c1-9-11(7-32(2)31-9)8-33-15-13(16(34)29-17(33)35)18(19(22,23)24,20(25,26)27)30-14(28-15)10-3-5-12(21)6-4-10/h3-7H,8H2,1-2H3,(H,28,30)(H,29,34,35)
InChIKey SETGQDSMBDHSRR-UHFFFAOYSA-N
Mol Weight 504.37 g/mol
Molecular Formula C20H15F7N6O2
Exact Mass 504.114471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ixVTj6lPRN
Name 1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-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/C20H15F7N6O2/c1-9-11(7-32(2)31-9)8-33-15-13(16(34)29-17(33)35)18(19(22,23)24,20(25,26)27)30-14(28-15)10-3-5-12(21)6-4-10/h3-7H,8H2,1-2H3,(H,28,30)(H,29,34,35)
InChIKey SETGQDSMBDHSRR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5981
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: UZI/1264547; Labnumber: CCA0004; UZI_ID: UZI-005983
Temperature 308 °C