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METHYL_(3R,4S,5S)-5-HYDROXY-3,4-(ISOPROPYLIDENEDIOXY)-CYCLOHEX-1-ENECARBOXYLATE

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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 DGkyUUMvWiW
Name (.+-.)-3,4-O,O-Isopropylidene-3a,4a,5b-trihydroxy-1-cyclohexenecarboxylic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 M.M. Campbell, A.D. Kaye, Tetrahedron 40, 2461 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3