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Benzonitrile, 4-[2-(1,2-dihydro-6-trifluoromethyl-2-oxo-4-pyrimidyl)ethenyl]-
SpectraBase Compound ID KSkPZ8lOlgm
InChI InChI=1S/C14H8F3N3O/c15-14(16,17)12-7-11(19-13(21)20-12)6-5-9-1-3-10(8-18)4-2-9/h1-7H,(H,19,20,21)/b6-5+
InChIKey JYEXIBGWGFRNJR-AATRIKPKSA-N
Mol Weight 291.23 g/mol
Molecular Formula C14H8F3N3O
Exact Mass 291.061946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hi9VnIRGfcn
Name 4-{(E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydro-4-pyrimidinyl]ethenyl}benzonitrile
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/C14H8F3N3O/c15-14(16,17)12-7-11(19-13(21)20-12)6-5-9-1-3-10(8-18)4-2-9/h1-7H,(H,19,20,21)/b6-5+
InChIKey JYEXIBGWGFRNJR-AATRIKPKSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2936
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/9311292; Labnumber: SAD-das1058