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(3S,5R)/(3R,5S)-3,5-DIACETOXY-1-ETHYNYL-2-METHYLCYCLOHEX-1-ENE
SpectraBase Compound ID 60MNZWc7t14
InChI InChI=1S/2C13H16O4/c2*1-5-11-6-12(16-9(3)14)7-13(8(11)2)17-10(4)15/h2*1,12-13H,6-7H2,2-4H3/t2*12-,13+/m10/s1
InChIKey NGFYRWOEGUISNT-LIPFMWGZSA-N
Mol Weight 472.53 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5nyZ2ACbzH
Name (3S,5R)/(3R,5S)-3,5-DIACETOXY-1-ETHYNYL-2-METHYLCYCLOHEX-1-ENE
Compound Number (9+13)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O8
InChI InChI=1S/2C13H16O4/c2*1-5-11-6-12(16-9(3)14)7-13(8(11)2)17-10(4)15/h2*1,12-13H,6-7H2,2-4H3/t2*12-,13+/m10/s1
InChIKey NGFYRWOEGUISNT-LIPFMWGZSA-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 472.535 g/mol
Solvent CDCl3
Source File Reference UWLU24944