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(E)-9-Bromo-11,11,11-trichloroundeca-1,5-diene
SpectraBase Compound ID Ktc3xo0C358
InChI InChI=1S/C11H16BrCl3/c1-2-3-4-5-6-7-8-10(12)9-11(13,14)15/h2,5-6,10H,1,3-4,7-9H2/b6-5+
InChIKey QPTBRFBESYEJTB-AATRIKPKSA-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 LGvl1Ar7Uaj
Name (E)-9-Bromo-11,11,11-trichloroundeca-1,5-diene
Appearance Colourless oil
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Formula C11H16BrCl3
InChI InChI=1S/C11H16BrCl3/c1-2-3-4-5-6-7-8-10(12)9-11(13,14)15/h2,5-6,10H,1,3-4,7-9H2/b6-5+
InChIKey QPTBRFBESYEJTB-AATRIKPKSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201902276
Molecular Weight 334.512 g/mol
SMILES C=CCC\C=C\CCC(CC(Cl)(Cl)Cl)Br
SPLASH splash10-066r-6900000000-9f87fe3c728a91f831b8
Sample Comments mixture of isomers (50:50)
Source of Spectrum CCC-12-SM25-6
Wiley ID 1839891