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1,3-Dimethyl-7-O-tolyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione

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1,3-Dimethyl-7-O-tolyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 1Qzvc4Qm0UH
InChI InChI=1S/C17H14F6N4O2/c1-8-6-4-5-7-9(8)11-24-12-10(13(28)27(3)14(29)26(12)2)15(25-11,16(18,19)20)17(21,22)23/h4-7H,1-3H3,(H,24,25)
InChIKey VCFOQHDGGXWZDQ-UHFFFAOYSA-N
Mol Weight 420.32 g/mol
Molecular Formula C17H14F6N4O2
Exact Mass 420.102095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2eOTPolbSgM
Name 1,3-dimethyl-7-(2-methylphenyl)-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/C17H14F6N4O2/c1-8-6-4-5-7-9(8)11-24-12-10(13(28)27(3)14(29)26(12)2)15(25-11,16(18,19)20)17(21,22)23/h4-7H,1-3H3,(H,24,25)
InChIKey VCFOQHDGGXWZDQ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_474
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: C27190; Labnumber: SOK-1128; SBI_ID: SBI-000476
Temperature 308 °C