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3,6-DIHYDRO-4,5-DIMETHYL-2-TRIFLUOROMETHYL-2H-THIINE
SpectraBase Compound ID DOw7EUKqINg
InChI InChI=1S/C8H11F3S/c1-5-3-7(8(9,10)11)12-4-6(5)2/h7H,3-4H2,1-2H3
InChIKey UCBVKTQKJXWYHQ-UHFFFAOYSA-N
Mol Weight 196.23 g/mol
Molecular Formula C8H11F3S
Exact Mass 196.053356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mhFaahC1L
Name 3,6-DIHYDRO-4,5-DIMETHYL-2-TRIFLUOROMETHYL-2H-THIINE
CAS Registry Number 122491-41-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11F3S
InChI InChI=1S/C8H11F3S/c1-5-3-7(8(9,10)11)12-4-6(5)2/h7H,3-4H2,1-2H3
InChIKey UCBVKTQKJXWYHQ-UHFFFAOYSA-N
Literature Reference Author B.SCHULER,W.SUNDERMEYER
Literature Reference Citation CHEM.BER.,123,177(1990)
Literature Reference DOI 10.1002/cber.19901230130
Molecular Weight 196.231 g/mol
Solvent CDCl3
Source File Reference UWED12266