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4-Chloro-3',5'-dimethoxy-2-nitro-1,1'-biphenyl
SpectraBase Compound ID 3VahLcCzA24
InChI InChI=1S/C14H12ClNO4/c1-19-11-5-9(6-12(8-11)20-2)13-4-3-10(15)7-14(13)16(17)18/h3-8H,1-2H3
InChIKey MNNYGIADVJGDKD-UHFFFAOYSA-N
Mol Weight 293.71 g/mol
Molecular Formula C14H12ClNO4
Exact Mass 293.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAEN9Pvhh5C
Name 4-Chloro-3',5'-dimethoxy-2-nitro-1,1'-biphenyl
Appearance Yellow solid
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Exact Mass 293.045485566 u
Formula C14H12ClNO4
GC Column HP-5MS
InChI InChI=1S/C14H12ClNO4/c1-19-11-5-9(6-12(8-11)20-2)13-4-3-10(15)7-14(13)16(17)18/h3-8H,1-2H3
InChIKey MNNYGIADVJGDKD-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
Molecular Weight 293.706 g/mol
Quality 56
Reported Formula C14H12ClNO4
SMILES COC=1C=C(C=C(C1)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OC
SPLASH splash10-0006-0190000000-e0eb1fbb8d4dc3072005
Source of Spectrum QE-27-SM6-19c (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.48 (hexane/EtOAc, 4:1)
Wiley ID 1904107