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1-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID D29IAkYfxZW
InChI InChI=1S/C22H15F6N5O4/c1-10-6-7-13(8-11(10)2)32-17-15(18(34)30-19(32)35)20(21(23,24)25,22(26,27)28)31-16(29-17)12-4-3-5-14(9-12)33(36)37/h3-9H,1-2H3,(H,29,31)(H,30,34,35)
InChIKey DNRJMEBGIBBAMM-UHFFFAOYSA-N
Mol Weight 527.38 g/mol
Molecular Formula C22H15F6N5O4
Exact Mass 527.102823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CseAbu39WkM
Name 1-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-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/C22H15F6N5O4/c1-10-6-7-13(8-11(10)2)32-17-15(18(34)30-19(32)35)20(21(23,24)25,22(26,27)28)31-16(29-17)12-4-3-5-14(9-12)33(36)37/h3-9H,1-2H3,(H,29,31)(H,30,34,35)
InChIKey DNRJMEBGIBBAMM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25570
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: D49992; Labnumber: SOK-1855; SBI_ID: SBI-025574
Temperature 315 °C