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

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1-benzyl-7-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 9a8l9XRC1N
InChI InChI=1S/C23H18F6N4O2/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/h1-10H,11-13H2,(H,30,32)(H,31,34,35)
InChIKey TUCQDIDEGSTSNS-UHFFFAOYSA-N
Mol Weight 496.41 g/mol
Molecular Formula C23H18F6N4O2
Exact Mass 496.133395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGRiYV454Lr
Name 1-benzyl-7-(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/C23H18F6N4O2/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/h1-10H,11-13H2,(H,30,32)(H,31,34,35)
InChIKey TUCQDIDEGSTSNS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20232
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: D16427; Labnumber: SOK-1198; SBI_ID: SBI-020236
Temperature 315 °C