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1,3,5-trimethoxy-2-(1,1,2,2,2-pentafluoroethylsulfanyl)benzene
SpectraBase Compound ID H5ckKKJYDA0
InChI InChI=1S/C11H11F5O3S/c1-17-6-4-7(18-2)9(8(5-6)19-3)20-11(15,16)10(12,13)14/h4-5H,1-3H3
InChIKey GLHAGFNWTVRMOR-UHFFFAOYSA-N
Mol Weight 318.26 g/mol
Molecular Formula C11H11F5O3S
Exact Mass 318.034906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s2K2VjJQSf
Name 1,3,5-trimethoxy-2-(1,1,2,2,2-pentafluoroethylsulfanyl)benzene
Appearance Yellow crystalline solid
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Exact Mass 318.034906200 u
Formula C11H11F5O3S
InChI InChI=1S/C11H11F5O3S/c1-17-6-4-7(18-2)9(8(5-6)19-3)20-11(15,16)10(12,13)14/h4-5H,1-3H3
InChIKey GLHAGFNWTVRMOR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200885
Molecular Weight 318.258 g/mol
Quality 222
Reported Formula C11H11O3F5S
SMILES C1=C(C(=C(C=C1OC)OC)SC(C(F)(F)F)(F)F)OC
SPLASH splash10-014j-1903000000-ed3e17e77161e4360d8f
Source of Spectrum K1-2022-SM8-5d (DOI: 10.1002/ejoc.202200885)
Wiley ID 1898910