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(1R,5R,6R,8S)-6-[2-(2-CHLOROPHENYL)-ETHYL]-8-HYDROXY-2,7-DIOXA-BICYCLO-[3.3.0]-OCTAN-3-ONE
SpectraBase Compound ID DWXPk6KITXS
InChI InChI=1S/C14H15ClO4/c15-10-4-2-1-3-8(10)5-6-11-9-7-12(16)19-13(9)14(17)18-11/h1-4,9,11,13-14,17H,5-7H2/t9-,11-,13-,14+/m1/s1
InChIKey SQMRQLUSAJUBCM-IMJCEVDSSA-N
Mol Weight 282.72 g/mol
Molecular Formula C14H15ClO4
Exact Mass 282.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4bqFrMn0sV
Name (1R,5R,6R,8S)-6-[2-(2-CHLOROPHENYL)-ETHYL]-8-HYDROXY-2,7-DIOXA-BICYCLO-[3.3.0]-OCTAN-3-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15ClO4
InChI InChI=1S/C14H15ClO4/c15-10-4-2-1-3-8(10)5-6-11-9-7-12(16)19-13(9)14(17)18-11/h1-4,9,11,13-14,17H,5-7H2/t9-,11-,13-,14+/m1/s1
InChIKey SQMRQLUSAJUBCM-IMJCEVDSSA-N
Literature Reference Author P.A.CASTELO-BRANCO,M.M.M.RUBINGER,L.D.C.ALVES,N.A.LIBERTO,T. C.M.NEPEL
Literature Reference Citation QUIM.NOVA,35,948(2012)
Literature Reference DOI 10.1590/s0100-40422012000500016
Molecular Weight 282.724 g/mol
Solvent CDCl3
Source File Reference UWIR12106