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(3R,4S,5S)-5-ACETOXY-3,4-(ISOPROPYLIDENEDIOXY)-CYCLOHEX-1-ENE-CARBOXYLIC-ACID
SpectraBase Compound ID F5x7iBOqM0v
InChI InChI=1S/C12H16O6/c1-6(13)16-8-4-7(11(14)15)5-9-10(8)18-12(2,3)17-9/h5,8-10H,4H2,1-3H3,(H,14,15)
InChIKey SIDHUCAQZRREKJ-UHFFFAOYSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrvpRnMNksK
Name (3R,4S,5S)-5-ACETOXY-3,4-(ISOPROPYLIDENEDIOXY)-CYCLOHEX-1-ENE-CARBOXYLIC-ACID
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-6(13)16-8-4-7(11(14)15)5-9-10(8)18-12(2,3)17-9/h5,8-10H,4H2,1-3H3,(H,14,15)
InChIKey SIDHUCAQZRREKJ-UHFFFAOYSA-N
Literature Reference Author S.JIANG,K.J.MCCULLOUGH,B.MEKKI,G.SINGH,R.H.WIGHTMAN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1805(1997)
Literature Reference DOI 10.1039/a700389g
Molecular Weight 256.255 g/mol
Solvent CDCl3