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4-(2-Bromo-4,4,4-trichlorobutan-2-yl)-1-methylcyclohex-1-ene
SpectraBase Compound ID G82pCmLnO0g
InChI InChI=1S/C11H16BrCl3/c1-8-3-5-9(6-4-8)10(2,12)7-11(13,14)15/h3,9H,4-7H2,1-2H3
InChIKey YTCBGDUVJNUTRT-UHFFFAOYSA-N
Mol Weight 334.51 g/mol
Molecular Formula C11H16BrCl3
Exact Mass 331.950097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzrhVuM6VwU
Name 4-(2-Bromo-4,4,4-trichlorobutan-2-yl)-1-methylcyclohex-1-ene
Appearance Colourless oil
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Formula C11H16BrCl3
InChI InChI=1S/C11H16BrCl3/c1-8-3-5-9(6-4-8)10(2,12)7-11(13,14)15/h3,9H,4-7H2,1-2H3
InChIKey YTCBGDUVJNUTRT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201902276
Molecular Weight 334.512 g/mol
SMILES C1(=CCC(CC1)C(CC(Cl)(Cl)Cl)(Br)C)C
SPLASH splash10-006x-8920000000-587e5db9ef884a68cf41
Sample Comments mixture of isomers (50:50)
Source of Spectrum CCC-12-SM25-8
Wiley ID 1839893