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(3S,5R)/(3R,5S)-3-ACETOXY-1-ETHYNYL-2-METHYL-5-HYDROXYCYCLOHEX-1-ENE
SpectraBase Compound ID 3F6vnRREp8L
InChI InChI=1S/2C11H14O3/c2*1-4-9-5-10(13)6-11(7(9)2)14-8(3)12/h2*1,10-11,13H,5-6H2,2-3H3/t2*10-,11+/m10/s1
InChIKey SAYGFMOVAWVQSD-LXXSSVHESA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuxG02ISmBN
Name (3S,5R)/(3R,5S)-3-ACETOXY-1-ETHYNYL-2-METHYL-5-HYDROXYCYCLOHEX-1-ENE
Compound Number (15+16)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/2C11H14O3/c2*1-4-9-5-10(13)6-11(7(9)2)14-8(3)12/h2*1,10-11,13H,5-6H2,2-3H3/t2*10-,11+/m10/s1
InChIKey SAYGFMOVAWVQSD-LXXSSVHESA-N
Literature Reference Author V.G.FERNANDEZ,M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,67,1266(2002)
Literature Reference DOI 10.1021/jo010941+
Molecular Weight 388.461 g/mol
Solvent CDCl3
Source File Reference UWLU24947