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ISOMER-#1
SpectraBase Compound ID Yaf7PRjRCB
InChI InChI=1S/C6H6Cl3F3/c7-3-5(10,4(8)9)1-2-6(3,11)12/h3-4H,1-2H2
InChIKey NRNYDRXISCBPFK-UHFFFAOYSA-N
Mol Weight 241.47 g/mol
Molecular Formula C6H6Cl3F3
Exact Mass 239.948718 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40J446FtaKu
Name ISOMER-#2
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6Cl3F3
InChI InChI=1S/C6H6Cl3F3/c7-3-5(10,4(8)9)1-2-6(3,11)12/h3-4H,1-2H2
InChIKey NRNYDRXISCBPFK-UHFFFAOYSA-N
Literature Reference Author K.OKUHARA
Literature Reference Citation J.AM.CHEM.SOC.,102,244(1980)
Literature Reference DOI 10.1021/ja00521a038
Solvent 20%-SOLUTION-IN-CDCl3
Source File Reference UWPS146