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3,3-bis(trifluoromethyl)benzo[c]oxathiole 1-oxide
SpectraBase Compound ID 5stqRw7DTvE
InChI InChI=1S/C9H4F6O2S/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)18(16)17-7/h1-4H
InChIKey RPZKVKQHTNBCKV-UHFFFAOYSA-N
Mol Weight 290.18 g/mol
Molecular Formula C9H4F6O2S
Exact Mass 289.98362 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fw76SVd87ul
Name 3,3-bis(trifluoromethyl)benzo[c]oxathiole 1-oxide
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H4F6O2S
InChI InChI=1S/C9H4F6O2S/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)18(16)17-7/h1-4H
InChIKey RPZKVKQHTNBCKV-UHFFFAOYSA-N
Literature Reference Author F.OHNO,T.KAWASHIMA,R.OKAZAKI
Literature Reference Citation J.AM.CHEM.SOC.,118,697(1996)
Literature Reference DOI 10.1021/ja953533u
Solvent CDCl3
Source File Reference UWLU45856