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METHYL_(3R,4S,5S)-5-HYDROXY-3,4-(ISOPROPYLIDENEDIOXY)-CYCLOHEX-1-ENECARBOXYLATE
SpectraBase Compound ID Dg7fLjDQ1t2
InChI InChI=1S/C11H16O5/c1-11(2)15-8-5-6(10(13)14-3)4-7(12)9(8)16-11/h5,7-9,12H,4H2,1-3H3
InChIKey BPQMQIJLKGETOF-UHFFFAOYSA-N
Mol Weight 228.24 g/mol
Molecular Formula C11H16O5
Exact Mass 228.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1f220c5HvjL
Name METHYL_(3R,4S,5S)-5-HYDROXY-3,4-(ISOPROPYLIDENEDIOXY)-CYCLOHEX-1-ENECARBOXYLATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16O5
InChI InChI=1S/C11H16O5/c1-11(2)15-8-5-6(10(13)14-3)4-7(12)9(8)16-11/h5,7-9,12H,4H2,1-3H3
InChIKey BPQMQIJLKGETOF-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 228.245 g/mol
Solvent CDCl3
Source File Reference UWBS1266