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7-cyclohexyl-1-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID BDiBMHw6Hm3
InChI InChI=1S/C22H22F6N4O2/c23-21(24,25)20(22(26,27)28)15-17(29-16(31-20)14-9-5-2-6-10-14)32(19(34)30-18(15)33)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,29,31)(H,30,33,34)
InChIKey HVSZVFJCRZVLOR-UHFFFAOYSA-N
Mol Weight 488.43 g/mol
Molecular Formula C22H22F6N4O2
Exact Mass 488.164695 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8VwB2SDwk50
Name 7-cyclohexyl-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/C22H22F6N4O2/c23-21(24,25)20(22(26,27)28)15-17(29-16(31-20)14-9-5-2-6-10-14)32(19(34)30-18(15)33)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,29,31)(H,30,33,34)
InChIKey HVSZVFJCRZVLOR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25494
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: D49901; Labnumber: SOK-1625; SBI_ID: SBI-025498
Temperature 315 °C