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(1R,5S)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one

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(1R,5S)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one
SpectraBase Compound ID CJQLqTIjhQl
InChI InChI=1S/C17H16Cl2O/c1-17(2)13-9-14(17)16(20)7-11(13)4-3-10-5-6-12(18)8-15(10)19/h3-8,13-14H,9H2,1-2H3/b4-3+/t13-,14+/m0/s1
InChIKey NRITVVWVFREWQB-PUWCWTCHSA-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 KAi1dK2307u
Name (1R,5S)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-7,7-dimethylbicyclo[3.1.1]hept-2-en-4-one
Compound Number 5C
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)13-9-14(17)16(20)7-11(13)4-3-10-5-6-12(18)8-15(10)19/h3-8,13-14H,9H2,1-2H3/b4-3+/t13-,14+/m0/s1
InChIKey NRITVVWVFREWQB-PUWCWTCHSA-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 UWSI22031