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(4-phenylcyclohexen-1-yl) trifluoromethanesulfonate
SpectraBase Compound ID C7FrnocLGqj
InChI InChI=1S/C13H13F3O3S/c14-13(15,16)20(17,18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2
InChIKey HIWOROJQUHMVQQ-UHFFFAOYSA-N
Mol Weight 306.3 g/mol
Molecular Formula C13H13F3O3S
Exact Mass 306.05375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 303cYEg23nE
Name (4-phenylcyclohexen-1-yl) trifluoromethanesulfonate
Alternate Name(s) (4-phenylcyclohexen-1-yl) tris(fluoranyl)methanesulfonate trifluoromethanesulfonic acid (4-phenyl-1-cyclohexenyl) ester trifluoromethanesulfonic acid (4-phenylcyclohexen-1-yl) ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H13F3O3S
InChI InChI=1S/C13H13F3O3S/c14-13(15,16)20(17,18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2
InChIKey HIWOROJQUHMVQQ-UHFFFAOYSA-N
Molecular Weight 306.299 g/mol
SMILES C(S(OC1=CCC(CC1)c1ccccc1)(=O)=O)(F)(F)F
SPLASH splash10-0udi-0902000000-593f542e8de0cd21717f
Source of Spectrum J-63-9011-0
Wiley ID 1307713