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7-FLUORO-7-(PHENYLSULFINYL)-HEPTANENITRILE;MORE-POLAR-ISOMER
SpectraBase Compound ID 7MTNUvv6QGw
InChI InChI=1S/C13H16FNOS/c14-13(10-6-1-2-7-11-15)17(16)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10H2
InChIKey PQYDCTQLYNNBOV-UHFFFAOYSA-N
Mol Weight 253.34 g/mol
Molecular Formula C13H16FNOS
Exact Mass 253.093663 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrUiQGiX2Y2
Name 7-FLUORO-7-(PHENYLSULFINYL)-HEPTANENITRILE;MORE-POLAR-ISOMER
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16FNOS
InChI InChI=1S/C13H16FNOS/c14-13(10-6-1-2-7-11-15)17(16)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10H2
InChIKey PQYDCTQLYNNBOV-UHFFFAOYSA-N
Literature Reference Author M.KIRIHARA,K.NIIMI,M.OKUMURA,T.MOMOSE
Literature Reference Citation CHEM.PHARM.BULL.,48,220(2000)
Literature Reference DOI 10.1248/cpb.48.220
Solvent CDCl3
Source File Reference UWLU20574