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(1R,5S)-2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one
SpectraBase Compound ID 3cslB8IibxX
InChI InChI=1S/C17H16Cl2O/c1-17(2)12-9-13(17)16(20)8-10(12)6-7-11-14(18)4-3-5-15(11)19/h3-8,12-13H,9H2,1-2H3/b7-6+/t12-,13+/m0/s1
InChIKey VZEIYLAEZKDNMI-VFZNBBLXSA-N
Mol Weight 307.22 g/mol
Molecular Formula C17H16Cl2O
Exact Mass 306.057821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K52nw4ahEXK
Name (1R,5S)-2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16Cl2O
InChI InChI=1S/C17H16Cl2O/c1-17(2)12-9-13(17)16(20)8-10(12)6-7-11-14(18)4-3-5-15(11)19/h3-8,12-13H,9H2,1-2H3/b7-6+/t12-,13+/m0/s1
InChIKey VZEIYLAEZKDNMI-VFZNBBLXSA-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 307.219 g/mol
Solvent CDCl3
Source File Reference UWSI22030