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Methyl 8b-(phenylsulfanyl)-6-methyl-1,2,2a,3,4,8b-hexahydro-cyclobuta[a]naphthalene-3-carboxylate
SpectraBase Compound ID BuX8LpVrlUC
InChI InChI=1S/C21H22O2S/c1-14-8-9-18-15(12-14)13-17(20(22)23-2)19-10-11-21(18,19)24-16-6-4-3-5-7-16/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKey IHCZLWOCRUDDCX-UHFFFAOYSA-N
Mol Weight 338.47 g/mol
Molecular Formula C21H22O2S
Exact Mass 338.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMnefIgu4KP
Name Methyl 8b-(phenylsulfanyl)-6-methyl-1,2,2a,3,4,8b-hexahydro-cyclobuta[a]naphthalene-3-carboxylate
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Formula C21H22O2S
InChI InChI=1S/C21H22O2S/c1-14-8-9-18-15(12-14)13-17(20(22)23-2)19-10-11-21(18,19)24-16-6-4-3-5-7-16/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKey IHCZLWOCRUDDCX-UHFFFAOYSA-N
Molecular Weight 338.465 g/mol
SMILES C12(C(C(Cc3cc(ccc23)C)C(=O)OC)CC1)Sc1ccccc1
SPLASH splash10-0ktr-2964000000-e68065a64cef311a53e4
Source of Spectrum D1-2006-2245-6
Synonyms Methyl 6-methyl-8b-(phenylsulfanyl)-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene-3-carboxylate
Wiley ID 1614239