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1-isobutyl-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

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1-isobutyl-7-(3-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 8hHv1z6eJID
InChI InChI=1S/C19H18F6N4O3/c1-9(2)8-29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)10-5-4-6-11(7-10)32-3/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)
InChIKey WUSQUKNNIKUUSM-UHFFFAOYSA-N
Mol Weight 464.37 g/mol
Molecular Formula C19H18F6N4O3
Exact Mass 464.128309 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6g6k610KWkD
Name 1-isobutyl-7-(3-methoxyphenyl)-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/C19H18F6N4O3/c1-9(2)8-29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)10-5-4-6-11(7-10)32-3/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)
InChIKey WUSQUKNNIKUUSM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25508
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: D49918; Labnumber: SOK-1668; SBI_ID: SBI-025512
Temperature 315 °C