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6-Benzylsulfonyl-2,4-bis(2,2,2-trifluoroethoxy)benzonitrile
SpectraBase Compound ID LqzPLRT53Wy
InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)10-28-13-6-15(29-11-18(22,23)24)14(8-25)16(7-13)30(26,27)9-12-4-2-1-3-5-12/h1-7H,9-11H2
InChIKey YBZZHLHJZABXEF-UHFFFAOYSA-N
Mol Weight 453.36 g/mol
Molecular Formula C18H13F6NO4S
Exact Mass 453.046948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV2pmU2We7p
Name 6-Benzylsulfonyl-2,4-bis(2,2,2-trifluoroethoxy)benzonitrile
Alternate Name(s) 2-(benzylsulfonyl)-4,6-bis(2,2,2-trifluoroethoxy)benzonitrile
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Formula C18H13F6NO4S
InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)10-28-13-6-15(29-11-18(22,23)24)14(8-25)16(7-13)30(26,27)9-12-4-2-1-3-5-12/h1-7H,9-11H2
InChIKey YBZZHLHJZABXEF-UHFFFAOYSA-N
Molecular Weight 453.355 g/mol
SMILES C(c1c(cc(cc1S(=O)(=O)Cc1ccccc1)OCC(F)(F)F)OCC(F)(F)F)#N
SPLASH splash10-000f-7009000000-323a6337782324cf48f4
Source of Spectrum H1-68-1117-10
Wiley ID 1593543