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3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-benzothiopyran-2-one
SpectraBase Compound ID 87362hTZeCp
InChI InChI=1S/C15H5F13OS/c16-10(17,7-5-6-3-1-2-4-8(6)30-9(7)29)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H
InChIKey QCCANFRQASFQOS-UHFFFAOYSA-N
Mol Weight 480.24 g/mol
Molecular Formula C15H5F13OS
Exact Mass 479.985352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GGFO7wcWKG
Name 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-benzothiopyran-2-one
Alternate Name(s) 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiochromen-2-one 3-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]thiochromen-2-one
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Formula C15H5F13OS
InChI InChI=1S/C15H5F13OS/c16-10(17,7-5-6-3-1-2-4-8(6)30-9(7)29)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H
InChIKey QCCANFRQASFQOS-UHFFFAOYSA-N
Molecular Weight 480.243 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C=1C(Sc2c(C1)cccc2)=O)(F)F)(F)F)(F)F
SPLASH splash10-001i-1810900000-33d3e708ea6bb1d9a2ca
Source of Spectrum KC-0-103-5
Wiley ID 780466