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7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 4yVBiTDXtqW
InChI InChI=1S/C20H11F6N5O4/c21-19(22,23)18(20(24,25)26)13-15(27-14(29-18)10-5-4-8-12(9-10)31(34)35)30(17(33)28-16(13)32)11-6-2-1-3-7-11/h1-9H,(H,27,29)(H,28,32,33)
InChIKey KEMMLRHVBGJNKF-UHFFFAOYSA-N
Mol Weight 499.33 g/mol
Molecular Formula C20H11F6N5O4
Exact Mass 499.071523 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CdJrubVTliW
Name 7-(3-nitrophenyl)-1-phenyl-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/C20H11F6N5O4/c21-19(22,23)18(20(24,25)26)13-15(27-14(29-18)10-5-4-8-12(9-10)31(34)35)30(17(33)28-16(13)32)11-6-2-1-3-7-11/h1-9H,(H,27,29)(H,28,32,33)
InChIKey KEMMLRHVBGJNKF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25528
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: D49941; Labnumber: SOK-1725; SBI_ID: SBI-025532
Temperature 315 °C