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MAJOR-ISOMER

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MAJOR-ISOMER
SpectraBase Compound ID 5fh0gO2xygB
InChI InChI=1S/C6H5F6NOS/c7-5(8,9)4(6(10,11)12)1-3(15-4)13-2-14/h2-3H,1H2,(H,13,14)
InChIKey OCTCAPPSWHGMEO-UHFFFAOYSA-N
Mol Weight 253.16 g/mol
Molecular Formula C6H5F6NOS
Exact Mass 252.999604 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kqat1ePMMd
Name MAJOR-ISOMER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5F6NOS
InChI InChI=1S/C6H5F6NOS/c7-5(8,9)4(6(10,11)12)1-3(15-4)13-2-14/h2-3H,1H2,(H,13,14)
InChIKey OCTCAPPSWHGMEO-UHFFFAOYSA-N
Literature Reference Author V.A.PETROV,W.MARSHALL
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2615(2013)
Literature Reference DOI 10.3762/bjoc.9.295
Solvent DMSO-D6
Source File Reference UWLU77846