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METHYL_(3S*,4S*,4AR*,7AS*)-HEXAHYDRO-8-OXO-1-H-3,7A-ETHANOCYClOPENTA-[C]-THIOPYRAN-4-CARBOXYLATE
SpectraBase Compound ID LwzFvvZJA5m
InChI InChI=1S/C12H16O3S/c1-15-11(14)10-7-3-2-4-12(7)6-16-8(10)5-9(12)13/h7-8,10H,2-6H2,1H3/t7-,8+,10-,12+/m1/s1
InChIKey ASHDPVLWMCNEDY-CCCLYZFWSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElRayNwQwfX
Name METHYL_(3S*,4S*,4AR*,7AS*)-HEXAHYDRO-8-OXO-1-H-3,7A-ETHANOCYClOPENTA-[C]-THIOPYRAN-4-CARBOXYLATE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-15-11(14)10-7-3-2-4-12(7)6-16-8(10)5-9(12)13/h7-8,10H,2-6H2,1H3/t7-,8+,10-,12+/m1/s1
InChIKey ASHDPVLWMCNEDY-CCCLYZFWSA-N
Literature Reference Author D.E.WARD,T.E.NIXEY,Y.GAI,M.J.HRAPCHAK,M.S.ABAEE
Literature Reference Citation CAN.J.CHEM.,74,1418(1996)
Literature Reference DOI 10.1139/v96-160
Molecular Weight 240.317 g/mol
Solvent CDCl3
Source File Reference UWMZ1556