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1-benzyl-7-(2-cyclohexylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID E00sARolbiM
InChI InChI=1S/C23H24F6N4O2/c24-22(25,26)21(23(27,28)29)17-18(30-16(32-21)12-11-14-7-3-1-4-8-14)33(20(35)31-19(17)34)13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,30,32)(H,31,34,35)
InChIKey PVPXTWHDNIOTDK-UHFFFAOYSA-N
Mol Weight 502.46 g/mol
Molecular Formula C23H24F6N4O2
Exact Mass 502.180345 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 35GWdiZ9sCH
Name 1-benzyl-7-(2-cyclohexylethyl)-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/C23H24F6N4O2/c24-22(25,26)21(23(27,28)29)17-18(30-16(32-21)12-11-14-7-3-1-4-8-14)33(20(35)31-19(17)34)13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,30,32)(H,31,34,35)
InChIKey PVPXTWHDNIOTDK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20406
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: D16685; Labnumber: SOK-1605; SBI_ID: SBI-020410
Temperature 318 °C