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(3R,4S,4AR)-8-METHOXY-3-METHYL-1-OXO-2,3,4,4A-TETRAHYDRO-1H-XANTHEN-4-YL-METHANSULFONATE
SpectraBase Compound ID KOe3GFdV8I6
InChI InChI=1S/C16H18O6S/c1-9-7-12(17)10-8-11-13(20-2)5-4-6-14(11)21-16(10)15(9)22-23(3,18)19/h4-6,8-9,15-16H,7H2,1-3H3/t9-,15+,16-/m1/s1
InChIKey BBTCGVIXNIYDOI-JVZDSHEPSA-N
Mol Weight 338.37 g/mol
Molecular Formula C16H18O6S
Exact Mass 338.082409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AojctX6ZTYy
Name (3R,4S,4AR)-8-METHOXY-3-METHYL-1-OXO-2,3,4,4A-TETRAHYDRO-1H-XANTHEN-4-YL-METHANSULFONATE
Compound Number 64
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O6S
InChI InChI=1S/C16H18O6S/c1-9-7-12(17)10-8-11-13(20-2)5-4-6-14(11)21-16(10)15(9)22-23(3,18)19/h4-6,8-9,15-16H,7H2,1-3H3/t9-,15+,16-/m1/s1
InChIKey BBTCGVIXNIYDOI-JVZDSHEPSA-N
Literature Reference Author A.C.MEISTER,A.ENCINAS,H.SAHIN,E.M.C.SINGER,C.F.NISING,M.NIEG ER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,4861(2014)
Literature Reference DOI 10.1002/ejoc.201402083
Molecular Weight 338.375 g/mol
Solvent CDCl3
Source File Reference UWIR19904