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1-(4-chlorophenyl)-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 14yNGdtdgCm
InChI InChI=1S/C15H9ClF6N4O2/c1-6-23-10-9(13(25-6,14(17,18)19)15(20,21)22)11(27)24-12(28)26(10)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,23,25)(H,24,27,28)
InChIKey SFKTXRUMCGUAAM-UHFFFAOYSA-N
Mol Weight 426.71 g/mol
Molecular Formula C15H9ClF6N4O2
Exact Mass 426.031822 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WIprBlUMu1
Name 1-(4-chlorophenyl)-7-methyl-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/C15H9ClF6N4O2/c1-6-23-10-9(13(25-6,14(17,18)19)15(20,21)22)11(27)24-12(28)26(10)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,23,25)(H,24,27,28)
InChIKey SFKTXRUMCGUAAM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25475
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: D49882; Labnumber: SOK-1295; SBI_ID: SBI-025479
Temperature 315 °C