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(1R,5S)-2-[(E)-2-(4-chlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one
SpectraBase Compound ID AJ2gSvo8iDj
InChI InChI=1S/C17H17ClO/c1-17(2)14-10-15(17)16(19)9-12(14)6-3-11-4-7-13(18)8-5-11/h3-9,14-15H,10H2,1-2H3/b6-3+/t14-,15+/m0/s1
InChIKey MYKLOAQFNQASCI-STJXIEADSA-N
Mol Weight 272.77 g/mol
Molecular Formula C17H17ClO
Exact Mass 272.096793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MopdolyqVS
Name (1R,5S)-2-[(E)-2-(4-chlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17ClO
InChI InChI=1S/C17H17ClO/c1-17(2)14-10-15(17)16(19)9-12(14)6-3-11-4-7-13(18)8-5-11/h3-9,14-15H,10H2,1-2H3/b6-3+/t14-,15+/m0/s1
InChIKey MYKLOAQFNQASCI-STJXIEADSA-N
Literature Reference Author T.M.NGUYEN,I.A.GUZEI,D.LEE
Literature Reference Citation J.ORG.CHEM.,67,6553(2002)
Literature Reference DOI 10.1021/jo025630t
Molecular Weight 272.774 g/mol
Solvent CDCl3
Source File Reference UWSI22032