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METHYL_(3S*,4S*,4AR*,7AS*)-HEXAHYDRO-9-OXO-3-H-3,8A-ETHANO-1-H-2-BENZOTHIOPYRAN-4-CARBOXYLATE
SpectraBase Compound ID 9kQIsSlnC2u
InChI InChI=1S/C13H18O3S/c1-16-12(15)11-8-4-2-3-5-13(8)7-17-9(11)6-10(13)14/h8-9,11H,2-7H2,1H3/t8-,9+,11-,13+/m1/s1
InChIKey WAKDKDFYAJZYIU-PFWNZEGQSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjWz2bRM2lA
Name METHYL_(3S*,4S*,4AR*,7AS*)-HEXAHYDRO-9-OXO-3-H-3,8A-ETHANO-1-H-2-BENZOTHIOPYRAN-4-CARBOXYLATE
Compound Number 50
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-16-12(15)11-8-4-2-3-5-13(8)7-17-9(11)6-10(13)14/h8-9,11H,2-7H2,1H3/t8-,9+,11-,13+/m1/s1
InChIKey WAKDKDFYAJZYIU-PFWNZEGQSA-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 254.344 g/mol
Solvent CDCl3
Source File Reference UWMZ1559