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4'-Bromo-2',5'-dimethyl-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID 12bfDkqL3hE
InChI InChI=1S/C15H12BrN/c1-10-8-15(16)11(2)7-14(10)13-5-3-12(9-17)4-6-13/h3-8H,1-2H3
InChIKey KPGUJLRQLLMQKD-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 7JXvG3LP9dm
Name 4'-Bromo-2',5'-dimethyl-[1,1'-biphenyl]-4-carbonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.015312390 u
Formula C15H12BrN
InChI InChI=1S/C15H12BrN/c1-10-8-15(16)11(2)7-14(10)13-5-3-12(9-17)4-6-13/h3-8H,1-2H3
InChIKey KPGUJLRQLLMQKD-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200576
Quality 401
SMILES C1(Br)=CC(=C(C=C1C)C1=CC=C(C=C1)C#N)C
SPLASH splash10-052u-1790000000-2c3830b61b4cb40b3c95
Source of Spectrum QE-28-SM4-2c (DOI: 10.1002/chem.202200576)
Thin-Layer Chromatography 0.38 (petroleum ether/ethyl acetate, 20:1)
Wiley ID 1902327