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1-[1-(difluoromethyl)but-3-enylsulfanyl]-2-methyl-benzene
SpectraBase Compound ID E0AbiIu64HQ
InChI InChI=1S/C12H14F2S/c1-3-6-11(12(13)14)15-10-8-5-4-7-9(10)2/h3-5,7-8,11-12H,1,6H2,2H3
InChIKey UNFZWZQZVMTSQI-UHFFFAOYSA-N
Mol Weight 228.3 g/mol
Molecular Formula C12H14F2S
Exact Mass 228.078428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XH3VvICDy5
Name 1-[1-(difluoromethyl)but-3-enylsulfanyl]-2-methyl-benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14F2S
InChI InChI=1S/C12H14F2S/c1-3-6-11(12(13)14)15-10-8-5-4-7-9(10)2/h3-5,7-8,11-12H,1,6H2,2H3
InChIKey UNFZWZQZVMTSQI-UHFFFAOYSA-N
Instrument Name TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000119
Molecular Weight 228.301 g/mol
SMILES c1cc(c(cc1)SC(CC=C)C(F)F)C
SPLASH splash10-01di-1920000000-e13cfe2624e4312f4713
Source of Spectrum ACI-59-SM61-6g
Wiley ID 1857723