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5-(2-((trifluoromethyl)thio)vinyl)benzo[d][1,3]dioxole
SpectraBase Compound ID 69Twrkvmnhm
InChI InChI=1S/C10H7F3O2S/c11-10(12,13)16-4-3-7-1-2-8-9(5-7)15-6-14-8/h1-5H,6H2
InChIKey DBMNTHQAQVENAR-UHFFFAOYSA-N
Mol Weight 248.22 g/mol
Molecular Formula C10H7F3O2S
Exact Mass 248.011885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DdrLgw8v4Y
Name 5-(2-((trifluoromethyl)thio)vinyl)benzo[d][1,3]dioxole
Appearance Colourless liquid
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Exact Mass 248.011885126 u
Formula C10H7F3O2S
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C10H7F3O2S/c11-10(12,13)16-4-3-7-1-2-8-9(5-7)15-6-14-8/h1-5H,6H2
InChIKey DBMNTHQAQVENAR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL or Agilent 5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600190
Molecular Weight 248.219 g/mol
Quality 186
Reported Formula C10H7O2SF3
SMILES C1(=CC2=C(C=C1)OCO2)C=CSC(F)(F)F
SPLASH splash10-0002-1950000000-07077777dfcb2b6c2288
Sample Comments Second isomer, E/Z = 48:52
Source of Spectrum QE-22-SM18-3i (DOI: 10.1002/chem.201600190)
Thin-Layer Chromatography 0.31 (DCM/n-pentane, 8%)
Wiley ID 1903042