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4R*,5S*-DIHYDROXY-3-METHOXY-5-METHYLCYCLOHEX-2-ENONE
SpectraBase Compound ID 4orq2Q5gRtP
InChI InChI=1S/C8H12O4/c1-8(11)4-5(9)3-6(12-2)7(8)10/h3,7,10-11H,4H2,1-2H3/t7-,8-/m1/s1
InChIKey WJKXLOGUCSSDAB-HTQZYQBOSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9kAb09NDsU
Name 4R*,5S*-DIHYDROXY-3-METHOXY-5-METHYLCYCLOHEX-2-ENONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-8(11)4-5(9)3-6(12-2)7(8)10/h3,7,10-11H,4H2,1-2H3/t7-,8-/m1/s1
InChIKey WJKXLOGUCSSDAB-HTQZYQBOSA-N
Literature Reference Author J.HE,E.M.K.WIJERATNE,B.P.BASHYAL,J.ZHAN,C.J.SELIGA,M.X.LIU,E .E.PIERSON,L.S.PIERS
Literature Reference Citation J.NAT.PROD.,67,1985(2004)
Literature Reference DOI 10.1021/np040139d
Molecular Weight 172.181 g/mol
Solvent CDCl3
Source File Reference UWMZ6812