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METHYL_(2S*,4AS*,5R*,8AS*,9R*)-OCTAHYDRO-4-OXO-2,5-METHANO-2-H-1-BENZOTHIOPYRAN-9-CARBOXYLATE
SpectraBase Compound ID 9fEOdTpCUnY
InChI InChI=1S/C12H16O3S/c1-15-12(14)11-6-3-2-4-8-10(6)7(13)5-9(11)16-8/h6,8-11H,2-5H2,1H3/t6-,8+,9+,10+,11+/m1/s1
InChIKey INRUVLUWIBGCNS-VUVUWQJZSA-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 HIVnTfL6Cy9
Name METHYL_(2S*,4AS*,5R*,8AS*,9R*)-OCTAHYDRO-4-OXO-2,5-METHANO-2-H-1-BENZOTHIOPYRAN-9-CARBOXYLATE
Compound Number 51
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-15-12(14)11-6-3-2-4-8-10(6)7(13)5-9(11)16-8/h6,8-11H,2-5H2,1H3/t6-,8+,9+,10+,11+/m1/s1
InChIKey INRUVLUWIBGCNS-VUVUWQJZSA-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 UWMZ1560