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(4-ALPHA,4A-BETA,7A-BETA)-1-CHLORO-1,3,4,4A,7,7A-HEXAHYDRO-3-OXO-4-PHENYLCYClOPENTA-[C]-PYRAN-1-CARBOXYLIC-ACID-METHYLESTER

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(4-ALPHA,4A-BETA,7A-BETA)-1-CHLORO-1,3,4,4A,7,7A-HEXAHYDRO-3-OXO-4-PHENYLCYClOPENTA-[C]-PYRAN-1-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID IiyXfWzt7GN
InChI InChI=1S/C16H15ClO4/c1-20-15(19)16(17)12-9-5-8-11(12)13(14(18)21-16)10-6-3-2-4-7-10/h2-8,11-13H,9H2,1H3/t11-,12+,13-,16-/m0/s1
InChIKey BVSFYKUKZNVRKK-ZWUHOBOKSA-N
Mol Weight 306.75 g/mol
Molecular Formula C16H15ClO4
Exact Mass 306.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BeyWlATAiA
Name (4-ALPHA,4A-BETA,7A-BETA)-1-CHLORO-1,3,4,4A,7,7A-HEXAHYDRO-3-OXO-4-PHENYLCYClOPENTA-[C]-PYRAN-1-CARBOXYLIC-ACID-METHYLESTER
CAS Registry Number 140633-68-7
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15ClO4
InChI InChI=1S/C16H15ClO4/c1-20-15(19)16(17)12-9-5-8-11(12)13(14(18)21-16)10-6-3-2-4-7-10/h2-8,11-13H,9H2,1H3/t11-,12+,13-,16-/m0/s1
InChIKey BVSFYKUKZNVRKK-ZWUHOBOKSA-N
Literature Reference Author J.HEGMANN,E.DITTERICH,G.HUETTNER,M.CHRISTL,E.M.PETERS,H.G.VO NSCHNERING
Literature Reference Citation CHEM.BER.,125,1913(1992)
Literature Reference DOI 10.1002/cber.19921250819
Molecular Weight 306.746 g/mol
Solvent CDCl3
Source File Reference UWCS21265