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(1S,2R,4S,5S,E)-2-bromo-4,5-dichloro-1-(2-chlorovinyl)-1,5-dimethylcyclohexane
SpectraBase Compound ID 3UnUaOnvPUi
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-QWDTXXANSA-N
Mol Weight 320.49 g/mol
Molecular Formula C10H14BrCl3
Exact Mass 317.934447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmuPZ04GW1X
Name (1S,2R,4S,5S,E)-2-bromo-4,5-dichloro-1-(2-chlorovinyl)-1,5-dimethylcyclohexane
Alternate Name(s) mertensene (1S,2R,4S,5S)-2-bromo-4,5-dichloro-1-((E)-2-chlorovinyl)-1,5-dimethylcyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14BrCl3
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-QWDTXXANSA-N
Literature Reference DOI 10.1002/pca.1075
Molecular Weight 320.485 g/mol
SMILES [C@@]1(\C=C\Cl)(C)[C@@](C[C@@]([C@](C)(C1)Cl)(Cl)[H])(Br)[H]
SPLASH splash10-014i-1940000000-33319b820f4ce8a3aef9
Source of Spectrum PA-19-468-27
Wiley ID 1789612