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(3alpha,4alpha,5alpha)-3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID,METHYL ESTER, 2,4-CYCLIC CARBONATE

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(3alpha,4alpha,5alpha)-3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID,METHYL ESTER, 2,4-CYCLIC CARBONATE
SpectraBase Compound ID Aehi2HONtDF
InChI InChI=1S/C9H10O6/c1-13-8(11)4-2-5(10)7-6(3-4)14-9(12)15-7/h3,5-7,10H,2H2,1H3
InChIKey HRKPBRYVRZTYPF-UHFFFAOYSA-N
Mol Weight 214.17 g/mol
Molecular Formula C9H10O6
Exact Mass 214.047738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgIL1FGzimY
Name (1a,5a,6A)-5-Hydroxy-8-oxo-7,9-dioxa-bicyclo(4.3.0)non-2-en-3-carboxylic acid, methyl ester
CAS Registry Number 83604-14-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H10O6
InChI InChI=1S/C9H10O6/c1-13-8(11)4-2-5(10)7-6(3-4)14-9(12)15-7/h3,5-7,10H,2H2,1H3
InChIKey HRKPBRYVRZTYPF-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference D.A. McGowan, G.A. Berchtold, J. Am. Chem. Soc. 104, 7036 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3