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(1S*,3R*,4S*,5R*)3-[(Methoxycarbonyl)methyl]-2-oxa-4-(phenylsulfonyl)bicyclo[3.3.0]octane
SpectraBase Compound ID B6dYG7NjeXE
InChI InChI=1S/C16H20O5S/c1-20-15(17)10-14-16(12-8-5-9-13(12)21-14)22(18,19)11-6-3-2-4-7-11/h2-4,6-7,12-14,16H,5,8-10H2,1H3/t12-,13+,14-,16+/m0/s1
InChIKey WTXQTCSTDLOZSF-KNCOVGOOSA-N
Mol Weight 324.39 g/mol
Molecular Formula C16H20O5S
Exact Mass 324.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq5lpoESo4Z
Name (1S*,3R*,4S*,5R*)3-[(Methoxycarbonyl)methyl]-2-oxa-4-(phenylsulfonyl)bicyclo[3.3.0]octane
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Formula C16H20O5S
InChI InChI=1S/C16H20O5S/c1-20-15(17)10-14-16(12-8-5-9-13(12)21-14)22(18,19)11-6-3-2-4-7-11/h2-4,6-7,12-14,16H,5,8-10H2,1H3/t12-,13+,14-,16+/m0/s1
InChIKey WTXQTCSTDLOZSF-KNCOVGOOSA-N
Molecular Weight 324.391 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@@](O[C@]2([C@@]1(CCC2)[H])[H])(CC(=O)OC)[H])[H]
SPLASH splash10-05bf-5890000000-a24ec879f866f13a85b7
Source of Spectrum F-54-1612-19
Wiley ID 805656