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7-benzyl-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 4IAMWpb1J8q
InChI InChI=1S/C21H14F6N4O2/c22-20(23,24)19(21(25,26)27)15-16(28-14(30-19)11-12-7-3-1-4-8-12)31(18(33)29-17(15)32)13-9-5-2-6-10-13/h1-10H,11H2,(H,28,30)(H,29,32,33)
InChIKey XEMRVFGXERVLIP-UHFFFAOYSA-N
Mol Weight 468.36 g/mol
Molecular Formula C21H14F6N4O2
Exact Mass 468.102095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JGFzIuSLKHT
Name 7-benzyl-1-phenyl-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/C21H14F6N4O2/c22-20(23,24)19(21(25,26)27)15-16(28-14(30-19)11-12-7-3-1-4-8-12)31(18(33)29-17(15)32)13-9-5-2-6-10-13/h1-10H,11H2,(H,28,30)(H,29,32,33)
InChIKey XEMRVFGXERVLIP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20396
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: D16674; Labnumber: SOK-1472; SBI_ID: SBI-020400
Temperature 318 °C