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4-Chloro-3',4',5'-trimethoxy-2-nitro-1,1'-biphenyl
SpectraBase Compound ID 3WkKYXV7vcd
InChI InChI=1S/C15H14ClNO5/c1-20-13-6-9(7-14(21-2)15(13)22-3)11-5-4-10(16)8-12(11)17(18)19/h4-8H,1-3H3
InChIKey AWZLFPIIBJDZFP-UHFFFAOYSA-N
Mol Weight 323.73 g/mol
Molecular Formula C15H14ClNO5
Exact Mass 323.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Iljrs4loAf
Name 4-Chloro-3',4',5'-trimethoxy-2-nitro-1,1'-biphenyl
Appearance Dark yellow solid
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Exact Mass 323.056050250 u
Formula C15H14ClNO5
GC Column HP-5MS
InChI InChI=1S/C15H14ClNO5/c1-20-13-6-9(7-14(21-2)15(13)22-3)11-5-4-10(16)8-12(11)17(18)19/h4-8H,1-3H3
InChIKey AWZLFPIIBJDZFP-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 323.732 g/mol
Reported Formula C15H14ClNO5
SMILES C1(Cl)=CC(=C(C=C1)C1=CC(=C(C(=C1)OC)OC)OC)[N+](=O)[O-]
SPLASH splash10-00di-0009000000-f90b054a162a7dcd6c20
Source of Spectrum QE-27-SM7-19h (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.18 (hexane/EtOAc, 5:1)
Wiley ID 1904111