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(1.beta.,5.beta.)-2.alpha.-thiophenyl-2.beta.-methoxycarbonylmethyl-8-oxabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID 4Xu4eGDUMcN
InChI InChI=1S/C16H18O4S/c1-19-15(18)10-16(21-12-5-3-2-4-6-12)13(17)9-11-7-8-14(16)20-11/h2-6,11,14H,7-10H2,1H3/t11-,14+,16+/m1/s1
InChIKey MQEZZYBAJOTXMF-WPGHFRTFSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFHMJmZFydf
Name (1.beta.,5.beta.)-2.alpha.-thiophenyl-2.beta.-methoxycarbonylmethyl-8-oxabicyclo[3.2.1]octan-3-one
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Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-19-15(18)10-16(21-12-5-3-2-4-6-12)13(17)9-11-7-8-14(16)20-11/h2-6,11,14H,7-10H2,1H3/t11-,14+,16+/m1/s1
InChIKey MQEZZYBAJOTXMF-WPGHFRTFSA-N
Molecular Weight 306.376 g/mol
SMILES [C@@]1(C(C[C@@]2(O[C@]1(CC2)[H])[H])=O)(CC(=O)OC)Sc1ccccc1
SPLASH splash10-0a4i-3449000000-3e1066755e1f4efa11c9
Source of Spectrum F-51-11300-6
Synonyms 2.alpha.-thiophenyl-2.beta.-methoxycarbonylmethyl-8-oxabicyclo[3.2.1]octan-3-one Methyl[(1S,2R,5R)-3-oxo-2-(phenylsulfanyl)-8-oxabicyclo[3.2.1]oct-2-yl]acetate 2-[(1R,4R,5S)-3-oxo-4-(phenylthio)-8-oxabicyclo[3.2.1]octan-4-yl]acetic acid methyl ester Methyl 2-[(1R,4R,5S)-3-oxo-4-phenylsulfanyl-8-oxabicyclo[3.2.1]octan-4-yl]acetate Methyl 2-[(1R,4R,5S)-3-oxidanylidene-4-phenylsulfanyl-8-oxabicyclo[3.2.1]octan-4-yl]ethanoate
Wiley ID 793810