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4,6-Dichloro-4'-nitro-[1,1'-biphenyl]-2-carbonitrile
SpectraBase Compound ID 69JbYPmkDMJ
InChI InChI=1S/C13H6Cl2N2O2/c14-10-5-9(7-16)13(12(15)6-10)8-1-3-11(4-2-8)17(18)19/h1-6H
InChIKey OWXJVDXNMBPTBU-UHFFFAOYSA-N
Mol Weight 293.11 g/mol
Molecular Formula C13H6Cl2N2O2
Exact Mass 291.980633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BniuLq10BP3
Name 4,6-Dichloro-4'-nitro-[1,1'-biphenyl]-2-carbonitrile
Appearance Yellow solid
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Exact Mass 291.980632839 u
Formula C13H6Cl2N2O2
InChI InChI=1S/C13H6Cl2N2O2/c14-10-5-9(7-16)13(12(15)6-10)8-1-3-11(4-2-8)17(18)19/h1-6H
InChIKey OWXJVDXNMBPTBU-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 293.109 g/mol
Quality 9
Reported Formula C13H6Cl2N2O2
SMILES C=1C(=CC(=C(C1C#N)C1=CC=C(C=C1)[N+]([O-])=O)Cl)Cl
SPLASH splash10-03di-0090000000-c8b875dcbdd42286991c
Source of Spectrum QE-28-SM57-4g (DOI: 10.1002/chem.202103700)
Wiley ID 1898235