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(1-R,2-S,3-R,4-S,5-S)-2,3-EPOXY-5-METHYLCYCLOHEXANE-1,4-DIOL
SpectraBase Compound ID 28MLhYikew4
InChI InChI=1S/C7H12O3/c1-3-2-4(8)6-7(10-6)5(3)9/h3-9H,2H2,1H3/t3-,4+,5-,6-,7+/m0/s1
InChIKey CMZGQDPCPWKPGY-MLKOFDEISA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzbhKJElHbb
Name (1-R,2-S,3-R,4-S,5-S)-2,3-EPOXY-5-METHYLCYCLOHEXANE-1,4-DIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-3-2-4(8)6-7(10-6)5(3)9/h3-9H,2H2,1H3/t3-,4+,5-,6-,7+/m0/s1
InChIKey CMZGQDPCPWKPGY-MLKOFDEISA-N
Literature Reference Author M.GAN,Y.LIU,Y.BAI,Y.GUAN,L.LI,R.GAO,W.HE,X.YOU,Y.LI,L.YU,C.X IAO
Literature Reference Citation J.NAT.PROD.,76,1535(2013)
Literature Reference DOI 10.1021/np4000944
Molecular Weight 144.170 g/mol
Solvent DMSO-D6
Source File Reference UWMZ43091