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3',5'-Dimethoxy-2-nitro-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID 5ZtDW3khVim
InChI InChI=1S/C15H12N2O4/c1-20-12-6-11(7-13(8-12)21-2)14-4-3-10(9-16)5-15(14)17(18)19/h3-8H,1-2H3
InChIKey OOGXHVIJKAJRNU-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C15H12N2O4
Exact Mass 284.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gJP0xZyCkO
Name 3',5'-Dimethoxy-2-nitro-[1,1'-biphenyl]-4-carbonitrile
Appearance Light yellow solid
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Exact Mass 284.079706870 u
Formula C15H12N2O4
GC Column HP-5MS
InChI InChI=1S/C15H12N2O4/c1-20-12-6-11(7-13(8-12)21-2)14-4-3-10(9-16)5-15(14)17(18)19/h3-8H,1-2H3
InChIKey OOGXHVIJKAJRNU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 or Thermo Scientific Trace 1300 Series-ISQ Single Quadrupole
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102000
Reported Formula C15H12N2O4
SMILES COC=1C=C(C=C(C1)C1=C(C=C(C=C1)C#N)[N+](=O)[O-])OC
SPLASH splash10-0pc0-0090000000-e082908a27199c786929
Source of Spectrum QE-27-SM7-19d (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.31 (hexane/EtOAc, 4:1)
Wiley ID 1904108