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(5E)-1-cycloheptyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 2SAqYJyDvlE
InChI InChI=1S/C19H20F3N3O3/c20-19(21,22)12-6-5-7-13(10-12)23-11-15-16(26)24-18(28)25(17(15)27)14-8-3-1-2-4-9-14/h5-7,10-11,14,23H,1-4,8-9H2,(H,24,26,28)/b15-11+
InChIKey JJUXUMQDNJTBOP-RVDMUPIBSA-N
Mol Weight 395.38 g/mol
Molecular Formula C19H20F3N3O3
Exact Mass 395.145676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bnbu59oEaFI
Name (5E)-1-cycloheptyl-5-{[3-(trifluoromethyl)anilino]methylene}-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/C19H20F3N3O3/c20-19(21,22)12-6-5-7-13(10-12)23-11-15-16(26)24-18(28)25(17(15)27)14-8-3-1-2-4-9-14/h5-7,10-11,14,23H,1-4,8-9H2,(H,24,26,28)/b15-11+
InChIKey JJUXUMQDNJTBOP-RVDMUPIBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10703
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: E02890; Labnumber: KKA-0211-3668; SBI_ID: SBI-010706
Synonyms 1-cycloheptyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C