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(3'S,4'aR,8'aS)-6',7'-dimethyl-3'-(phenylthio)-1'-spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]one
SpectraBase Compound ID CnbmbQ449Av
InChI InChI=1S/C20H24O3S/c1-13-10-16-17(11-14(13)2)20(22-8-9-23-20)19(12-18(16)21)24-15-6-4-3-5-7-15/h3-7,16-17,19H,8-12H2,1-2H3/t16-,17+,19-/m0/s1
InChIKey FDQMSUGTAVTGLI-SCTDSRPQSA-N
Mol Weight 344.47 g/mol
Molecular Formula C20H24O3S
Exact Mass 344.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Gdu15HaLD6
Name (3'S,4'aR,8'aS)-6',7'-dimethyl-3'-(phenylthio)-1'-spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]one
Comments Less than 3 mono-isotopic peaks
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Formula C20H24O3S
InChI InChI=1S/C20H24O3S/c1-13-10-16-17(11-14(13)2)20(22-8-9-23-20)19(12-18(16)21)24-15-6-4-3-5-7-15/h3-7,16-17,19H,8-12H2,1-2H3/t16-,17+,19-/m0/s1
InChIKey FDQMSUGTAVTGLI-SCTDSRPQSA-N
Molecular Weight 344.469 g/mol
SMILES C12([C@]3([C@@](CC(=C(C3)C)C)([H])C(C[C@@]1(Sc1ccccc1)[H])=O)[H])OCCO2
SPLASH splash10-004i-0901000000-5e22b48ee7bb767b5aa0
Source of Spectrum F-56-3607-10
Synonyms (3'S,4'aR,8'aS)-6',7'-dimethyl-3'-(phenylthio)spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]-1'-one (3'S,4'aR,8'aS)-6',7'-dimethyl-3'-phenylsulfanyl-spiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]-1'-one
Wiley ID 857211