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COCCINENE

Compound with spectra: 2 NMR

COCCINENE
SpectraBase Compound ID LyFs0YPqwoQ
InChI InChI=1S/C10H14BrCl3/c1-9(3-4-12)6-10(2,14)8(13)5-7(9)11/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9+,10+/m1/s1
InChIKey RUGBKCUWZCCZDR-QKDZJIMASA-N
Mol Weight 320.49 g/mol
Molecular Formula C10H14BrCl3
Exact Mass 317.934447 g/mol
Enantiomer InChIKey RUGBKCUWZCCZDR-UKVBZMNQSA-N

View Spectrum of COCCINENE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

View Spectrum of COCCINENE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • RUGBKCUWZCCZDR-QKDZJIMASA-N
(1S,2R,4S,5S,E)-2-bromo-4,5-dichloro-1-(2-chlorovinyl)-1,5-dimethylcyclohexane
MERTENSENE;(1R,2R,4S,5R,1'E)-4-BROMO-1,2-DICHLORO-5-(2'-CHLOROETHENYL)-1,5-DIMETHYLCYCLOHEXANE
2-Bromo-1-E-bromovinyl-4,5-dichloro-1,5-dimethyl-cyclohexane
(1S,2S,4R,5S)-2-bromo-1-[(E)-2-bromoethenyl]-4,5-dichloro-1,5-dimethylcyclohexane
MERTENSENE
(1R,2S,4S,5R,E)-1-bromo-4,5-dichloro-2-(2-chlorovinyl)-1,5-dimethylcyclohexane
(1R,2S,4S,5R,E)-1,4-dibromo-5-chloro-2-(2-chlorovinyl)-1,5-dimethylcyclohexane
(1S,2R,4R,5S)-1,4-dibromo-5-chloro-2-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
5-Chloro-2-E-chlorovinyl-1,4-dibromo-1,5-dimethyl-cyclohexane
2,4,5-Trichloro-1-ethyl-1-methyl-5-bromomethyl-cyclohexane
Title Journal or Book Year
A New Polyhalogenated Monoterpene from the Red Alga Plocamium cartilagineum Journal of Natural Products 1990
Halogen regiochemistry and substituent stereochemistry determination in marine monoterpenes by carbon-13 NMR The Journal of Organic Chemistry 1984

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