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ETHYL-2,2-DIFLUORO-2-OCTYLTHIOACETATE
SpectraBase Compound ID LyJcRqW4WUx
InChI InChI=1S/C12H22F2O2S/c1-3-5-6-7-8-9-10-17-12(13,14)11(15)16-4-2/h3-10H2,1-2H3
InChIKey CDXPOCLDJQIFAO-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C12H22F2O2S
Exact Mass 268.130857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7lHx9zaGy3
Name ETHYL-2,2-DIFLUORO-2-OCTYLTHIOACETATE
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H22F2O2S
InChI InChI=1S/C12H22F2O2S/c1-3-5-6-7-8-9-10-17-12(13,14)11(15)16-4-2/h3-10H2,1-2H3
InChIKey CDXPOCLDJQIFAO-UHFFFAOYSA-N
Literature Reference Author C.QUERO,G.ROSELL,O.JIMENEZ,S.RODRIGUEZ,M.P.BOSCH,A.GUERRERO
Literature Reference Citation BIOORG.MED.CHEM.,11,1047(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00467-4
Molecular Weight 268.362 g/mol
Sample ID 38542
Solvent Unknown