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4'-Bromo-2',5'-dimethyl-[1,1'-biphenyl]-2-carbonitrile
SpectraBase Compound ID Lfa660n4pY3
InChI InChI=1S/C15H12BrN/c1-10-8-15(16)11(2)7-14(10)13-6-4-3-5-12(13)9-17/h3-8H,1-2H3
InChIKey XDPLVSZHLKWHAO-UHFFFAOYSA-N
Mol Weight 286.17 g/mol
Molecular Formula C15H12BrN
Exact Mass 285.015312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgsRIP1dcJ1
Name 4'-Bromo-2',5'-dimethyl-[1,1'-biphenyl]-2-carbonitrile
Appearance Colorless solid
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Exact Mass 285.015312390 u
Formula C15H12BrN
InChI InChI=1S/C15H12BrN/c1-10-8-15(16)11(2)7-14(10)13-6-4-3-5-12(13)9-17/h3-8H,1-2H3
InChIKey XDPLVSZHLKWHAO-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200576
Quality 165
SMILES C1(Br)=CC(=C(C=C1C)C=1C(=CC=CC1)C#N)C
SPLASH splash10-0570-1790000000-124c7b19c860c74c9d96
Source of Spectrum QE-28-SM5-2d (DOI: 10.1002/chem.202200576)
Thin-Layer Chromatography 0.31 (petroleum ether/ethyl acetate, 20:1)
Wiley ID 1902328