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(7,7-Dimethyl-2-exo-phenylsulfanylbicyclo[2.2.1]hept-1-yl)methane sulfonic acid phenyl ester
SpectraBase Compound ID Fia8Hv2QgCH
InChI InChI=1S/C22H26O3S2/c1-21(2)17-13-14-22(21,20(15-17)26-19-11-7-4-8-12-19)16-27(23,24)25-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3/t17-,20+,22-/m0/s1
InChIKey WHDFFZOOXAJRNH-WEYGHZABSA-N
Mol Weight 402.57 g/mol
Molecular Formula C22H26O3S2
Exact Mass 402.132337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uyyumezkTI
Name (7,7-Dimethyl-2-exo-phenylsulfanylbicyclo[2.2.1]hept-1-yl)methane sulfonic acid phenyl ester
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Formula C22H26O3S2
InChI InChI=1S/C22H26O3S2/c1-21(2)17-13-14-22(21,20(15-17)26-19-11-7-4-8-12-19)16-27(23,24)25-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3/t17-,20+,22-/m0/s1
InChIKey WHDFFZOOXAJRNH-WEYGHZABSA-N
Molecular Weight 402.567 g/mol
SMILES [C@@]12(C([C@@](CC2)(C[C@]1(Sc1ccccc1)[H])[H])(C)C)CS(Oc1ccccc1)(=O)=O
SPLASH splash10-000i-3900100000-dbad66b0bd5e92987f73
Source of Spectrum F-55-9616-7
Synonyms (1S,2R)-(7,7-Dimethyl-2-exo-phenylsulfanylbicyclo[2.2.1]hept-1-yl)methane sulfonic acid phenyl ester phenyl[(1S,2R)-7,7-dimethyl-2-(phenylsulfanyl)bicyclo[2.2.1]hept-1-yl]methanesulfonate
Wiley ID 838634