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5-pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-, ethyl ester
SpectraBase Compound ID 2AxCmDA3rFu
InChI InChI=1S/C18H19F3N4O3/c1-2-28-16(27)14-11-22-17(23-15(14)26)25-8-6-24(7-9-25)13-5-3-4-12(10-13)18(19,20)21/h3-5,10-11H,2,6-9H2,1H3,(H,22,23,26)
InChIKey LRELBQHCTFTBQF-UHFFFAOYSA-N
Mol Weight 396.37 g/mol
Molecular Formula C18H19F3N4O3
Exact Mass 396.140925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gk1gv0Jxesz
Name 5-pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-, ethyl ester
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/C18H19F3N4O3/c1-2-28-16(27)14-11-22-17(23-15(14)26)25-8-6-24(7-9-25)13-5-3-4-12(10-13)18(19,20)21/h3-5,10-11H,2,6-9H2,1H3,(H,22,23,26)
InChIKey LRELBQHCTFTBQF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3285
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: F17468; Labnumber: VGU-41649