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4'-Bromo-2',5'-dimethyl-[1,1'-biphenyl]-2,5-dicarbonitrile
SpectraBase Compound ID ELqpMSQSh7O
InChI InChI=1S/C16H11BrN2/c1-10-6-16(17)11(2)5-14(10)15-7-12(8-18)3-4-13(15)9-19/h3-7H,1-2H3
InChIKey PIZZRBHMBJLGLL-UHFFFAOYSA-N
Mol Weight 311.18 g/mol
Molecular Formula C16H11BrN2
Exact Mass 310.010561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADUqXw8N24O
Name 4'-Bromo-2',5'-dimethyl-[1,1'-biphenyl]-2,5-dicarbonitrile
Appearance Colorless solid
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Exact Mass 310.010561362 u
Formula C16H11BrN2
InChI InChI=1S/C16H11BrN2/c1-10-6-16(17)11(2)5-14(10)15-7-12(8-18)3-4-13(15)9-19/h3-7H,1-2H3
InChIKey PIZZRBHMBJLGLL-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301114
Molecular Weight 311.182 g/mol
Quality 389
SMILES C1(=C(C=C(C(=C1)C1=CC(=CC=C1C#N)C#N)C)Br)C
SPLASH splash10-0ugi-2490000000-c06b217a0d2e67db71c8
Source of Spectrum QE-29-SM6-2c (DOI: 10.1002/chem.202301114)
Thin-Layer Chromatography 0.26 (n-hexane/ethyl acetate, 4:1)
Wiley ID 1911988