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(5E)-5-[(1-propyl-1H-indol-3-yl)methylene]-1-[3-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID Aktq6OGh6wi
InChI InChI=1S/C23H18F3N3O3/c1-2-10-28-13-14(17-8-3-4-9-19(17)28)11-18-20(30)27-22(32)29(21(18)31)16-7-5-6-15(12-16)23(24,25)26/h3-9,11-13H,2,10H2,1H3,(H,27,30,32)/b18-11+
InChIKey OFCITAFDQQXRNO-WOJGMQOQSA-N
Mol Weight 441.41 g/mol
Molecular Formula C23H18F3N3O3
Exact Mass 441.130026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4q3bW6uAn9N
Name (5E)-5-[(1-propyl-1H-indol-3-yl)methylene]-1-[3-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C23H18F3N3O3/c1-2-10-28-13-14(17-8-3-4-9-19(17)28)11-18-20(30)27-22(32)29(21(18)31)16-7-5-6-15(12-16)23(24,25)26/h3-9,11-13H,2,10H2,1H3,(H,27,30,32)/b18-11+
InChIKey OFCITAFDQQXRNO-WOJGMQOQSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10750
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: E03043; Labnumber: KKA-0212B-0250; SBI_ID: SBI-010753
Synonyms 5-[(1-propyl-1H-indol-3-yl)methylene]-1-[3-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C