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1-isobutyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,6H)-trione
SpectraBase Compound ID IZmXi0STcKZ
InChI InChI=1S/C12H12F6N4O3/c1-4(2)3-22-6-5(7(23)20-9(22)25)10(11(13,14)15,12(16,17)18)21-8(24)19-6/h4H,3H2,1-2H3,(H2,19,21,24)(H,20,23,25)
InChIKey JSEHDOFELMGHLB-UHFFFAOYSA-N
Mol Weight 374.24 g/mol
Molecular Formula C12H12F6N4O3
Exact Mass 374.081359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpQwXz53Xu3
Name 1-isobutyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4,7(1H,3H,6H)-trione
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/C12H12F6N4O3/c1-4(2)3-22-6-5(7(23)20-9(22)25)10(11(13,14)15,12(16,17)18)21-8(24)19-6/h4H,3H2,1-2H3,(H2,19,21,24)(H,20,23,25)
InChIKey JSEHDOFELMGHLB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27273
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: D75800; Labnumber: SOK-1218; SBI_ID: SBI-027277
Temperature 308 °C