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(4R,5S,SS)-4-(tert-Butylsulfintyl)bicyclo[3.3.0]oct-1-en-3-one
SpectraBase Compound ID LeYXmIrp5DO
InChI InChI=1S/C12H18O2S/c1-12(2,3)15(14)11-9-6-4-5-8(9)7-10(11)13/h7,9,11H,4-6H2,1-3H3/t9-,11+,15?/m0/s1
InChIKey BRZSUMFLMWKSRT-RDJOHKMMSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FEsfA4VfpY
Name (4R,5S,SS)-4-(tert-Butylsulfintyl)bicyclo[3.3.0]oct-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-12(2,3)15(14)11-9-6-4-5-8(9)7-10(11)13/h7,9,11H,4-6H2,1-3H3/t9-,11+,15?/m0/s1
InChIKey BRZSUMFLMWKSRT-RDJOHKMMSA-N
Molecular Weight 226.334 g/mol
SMILES [C@]1(C(C=C2[C@@]1(CCC2)[H])=O)([S@@](C(C)(C)C)=O)[H]
SPLASH splash10-00di-2900000000-51cf768434fb579dc39d
Source of Spectrum SO-0-1894-4
Wiley ID 878665