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7,7-Dimethyl-1-(phenylsulfonylmethyl)-2-exo-benzylselenylbicyclo[2.2.1]heptan
SpectraBase Compound ID HKqoBoV4jhf
InChI InChI=1S/C23H28O2SSe/c1-22(2)19-13-14-23(22,17-26(24,25)20-11-7-4-8-12-20)21(15-19)27-16-18-9-5-3-6-10-18/h3-12,19,21H,13-17H2,1-2H3/t19-,21+,23+/m0/s1
InChIKey DCGQEJBDLAIPRB-XKCSPQBFSA-N
Mol Weight 447.51 g/mol
Molecular Formula C23H28O2SSe
Exact Mass 448.097523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIMIwOJJdmw
Name 7,7-Dimethyl-1-(phenylsulfonylmethyl)-2-exo-benzylselenylbicyclo[2.2.1]heptan
Alternate Name(s) (1R,2R)-2-(benzylselanyl)-7,7-dimethyl-1-[(phenylsulfonyl)methyl]bicyclo[2.2.1]heptane (1R,2R)-7,7-Dimethyl-1-(phenylsulfonylmethyl)-2-exo-benzylselenylbicyclo[2.2.1]heptan [(1R,2R)-2-(benzylselanyl)-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl phenyl sulfone
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Formula C23H28O2SSe
InChI InChI=1S/C23H28O2SSe/c1-22(2)19-13-14-23(22,17-26(24,25)20-11-7-4-8-12-20)21(15-19)27-16-18-9-5-3-6-10-18/h3-12,19,21H,13-17H2,1-2H3/t19-,21+,23+/m0/s1
InChIKey DCGQEJBDLAIPRB-XKCSPQBFSA-N
Molecular Weight 447.507 g/mol
SMILES [C@]12(C([C@@](CC2)(C[C@]1([Se]Cc1ccccc1)[H])[H])(C)C)CS(=O)(=O)c1ccccc1
SPLASH splash10-000l-6910000000-95e533f9350e1b459997
Source of Spectrum F-55-9620-16
Wiley ID 838625