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5-methyl-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,3-benzodithiole
SpectraBase Compound ID 85NU0yZsroD
InChI InChI=1S/C11H6F6S2/c1-5-2-3-6-7(4-5)19-9(18-6)8(10(12,13)14)11(15,16)17/h2-4H,1H3
InChIKey UQSNEPZBPOJRBA-UHFFFAOYSA-N
Mol Weight 316.28 g/mol
Molecular Formula C11H6F6S2
Exact Mass 315.981512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lC1d0tVfJ
Name 5-methyl-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,3-benzodithiole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.981511519 u
Formula C11H6F6S2
GC Oven Program Oven temp 280oC
InChI InChI=1S/C11H6F6S2/c1-5-2-3-6-7(4-5)19-9(18-6)8(10(12,13)14)11(15,16)17/h2-4H,1H3
InChIKey UQSNEPZBPOJRBA-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/jssc.202200251
Molecular Weight 316.279 g/mol
Quality 547
SMILES C1(=CC2=C(C=C1)SC(S2)=C(C(F)(F)F)C(F)(F)F)C
SPLASH splash10-014i-1159000000-2651cedb38e44a7297e1
Source of Spectrum SEP-45-2972-FIGURE 2 (DOI: 10.1002/jssc.202200251)
Wiley ID 1899059