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7.alpha.-Acetoxy-(1H.beta.,6H.beta.)-11-thiabicyclo[4.4.1]undeca-2,4,8-triene 11,11-Dioxide
SpectraBase Compound ID CCfZVZq8rRV
InChI InChI=1S/C12H14O4S/c1-9(13)16-11-7-4-6-10-5-2-3-8-12(11)17(10,14)15/h2-5,7-8,10-12H,6H2,1H3/t10-,11+,12-/m0/s1
InChIKey GHEQNELZNAQRJJ-TUAOUCFPSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5ghFhCsmQ7
Name 7.alpha.-Acetoxy-(1H.beta.,6H.beta.)-11-thiabicyclo[4.4.1]undeca-2,4,8-triene 11,11-Dioxide
Alternate Name(s) (1S,2R,6R)-11,11-dioxido-11-thiabicyclo[4.4.1]undeca-3,7,9-trien-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-9(13)16-11-7-4-6-10-5-2-3-8-12(11)17(10,14)15/h2-5,7-8,10-12H,6H2,1H3/t10-,11+,12-/m0/s1
InChIKey GHEQNELZNAQRJJ-TUAOUCFPSA-N
Molecular Weight 254.300 g/mol
SMILES [C@@]12(S([C@](CC=C[C@]2(OC(=O)C)[H])(C=CC=C1)[H])(=O)=O)[H]
SPLASH splash10-06r2-0690000000-7fa6607cc304bde6d82c
Source of Spectrum C-115-1394-42
Wiley ID 1257361