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2-hydroxy-6-phenyl-4-(trifluoromethyl)nicotinonitrile, O-ester with O,O-diethyl phosphorothioate
SpectraBase Compound ID 41fOUnxBVPl
InChI InChI=1S/C17H16F3N2O3PS/c1-3-23-26(27,24-4-2)25-16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChIKey QHFGNFYWOYNWSG-UHFFFAOYSA-N
Mol Weight 416.35 g/mol
Molecular Formula C17H16F3N2O3PS
Exact Mass 416.057135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPmzeDQoZTs
Name 2-HYDROXY-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE,O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3N2O3PS
InChI InChI=1S/C17H16F3N2O3PS/c1-3-23-26(27,24-4-2)25-16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChIKey QHFGNFYWOYNWSG-UHFFFAOYSA-N
Molecular Weight 416.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms NICOTINONITRILE, 2-HYDROXY- 6-PHENYL-4-/TRIFLUOROMETHYL/-, O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE