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pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-chlorophenyl)-5,8-dihydro-7-(2-methylpropyl)-5,5-bis(trifluoromethyl)-
SpectraBase Compound ID AGTgwVkHT2B
InChI InChI=1S/C18H15ClF6N4O2/c1-8(2)7-11-26-13-12(16(28-11,17(20,21)22)18(23,24)25)14(30)27-15(31)29(13)10-5-3-9(19)4-6-10/h3-6,8H,7H2,1-2H3,(H,26,28)(H,27,30,31)
InChIKey FVPAUDMHMPSRKY-UHFFFAOYSA-N
Mol Weight 468.79 g/mol
Molecular Formula C18H15ClF6N4O2
Exact Mass 468.078772 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gvk5YHxAr2h
Name pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-chlorophenyl)-5,8-dihydro-7-(2-methylpropyl)-5,5-bis(trifluoromethyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H15ClF6N4O2/c1-8(2)7-11-26-13-12(16(28-11,17(20,21)22)18(23,24)25)14(30)27-15(31)29(13)10-5-3-9(19)4-6-10/h3-6,8H,7H2,1-2H3,(H,26,28)(H,27,30,31)
InChIKey FVPAUDMHMPSRKY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7415
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: NMR/12225803; Labnumber: AU-TG01142