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7-(3-methoxyphenyl)-1-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID CGEmanaFuf2
InChI InChI=1S/C23H18F6N4O3/c1-36-15-9-5-8-14(12-15)17-30-18-16(21(32-17,22(24,25)26)23(27,28)29)19(34)31-20(35)33(18)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,30,32)(H,31,34,35)
InChIKey ZWDJQHOPMKMHEK-UHFFFAOYSA-N
Mol Weight 512.41 g/mol
Molecular Formula C23H18F6N4O3
Exact Mass 512.128309 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4I8l4cpw60O
Name 7-(3-methoxyphenyl)-1-(2-phenylethyl)-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/C23H18F6N4O3/c1-36-15-9-5-8-14(12-15)17-30-18-16(21(32-17,22(24,25)26)23(27,28)29)19(34)31-20(35)33(18)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,30,32)(H,31,34,35)
InChIKey ZWDJQHOPMKMHEK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27289
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: D75824; Labnumber: SOK-1766; SBI_ID: SBI-027293
Temperature 308 °C