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(4-ALPHA,4A-BETA,5-ALPHA,8-ALPHA,8A-BETA)-1-CHLOROOCTAHYDRO-3-OXO-4-PHENYL-5,8-METHANO-1H-BENZO-[C]-PYRAN-CARBOXYLIC-ACID-METHYLESTER

View entire compound with spectra: 1 NMR

(4-ALPHA,4A-BETA,5-ALPHA,8-ALPHA,8A-BETA)-1-CHLOROOCTAHYDRO-3-OXO-4-PHENYL-5,8-METHANO-1H-BENZO-[C]-PYRAN-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID DruovmLBV1f
InChI InChI=1S/C18H19ClO4/c1-22-17(21)18(19)15-12-8-7-11(9-12)13(15)14(16(20)23-18)10-5-3-2-4-6-10/h2-6,11-15H,7-9H2,1H3/t11-,12+,13-,14+,15-,18-/m0/s1
InChIKey IGNWKIQGJTYTEO-LNORHHCFSA-N
Mol Weight 334.8 g/mol
Molecular Formula C18H19ClO4
Exact Mass 334.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSKkXW3UWGu
Name (4-ALPHA,4A-BETA,5-ALPHA,8-ALPHA,8A-BETA)-1-CHLOROOCTAHYDRO-3-OXO-4-PHENYL-5,8-METHANO-1H-BENZO-[C]-PYRAN-CARBOXYLIC-ACID-METHYLESTER
CAS Registry Number 140695-39-2
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19ClO4
InChI InChI=1S/C18H19ClO4/c1-22-17(21)18(19)15-12-8-7-11(9-12)13(15)14(16(20)23-18)10-5-3-2-4-6-10/h2-6,11-15H,7-9H2,1H3/t11-,12+,13-,14+,15-,18-/m0/s1
InChIKey IGNWKIQGJTYTEO-LNORHHCFSA-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 334.799 g/mol
Solvent CDCl3
Source File Reference UWCS21263