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2,3,4-Trimethoxy-2'-nitro-1,1'-biphenyl
SpectraBase Compound ID 4RrbvFi6Z4v
InChI InChI=1S/C15H15NO5/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h4-9H,1-3H3
InChIKey CZHCRSXHXZZCPK-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C15H15NO5
Exact Mass 289.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j0h3hJ5LYe
Name 2,3,4-Trimethoxy-2'-nitro-1,1'-biphenyl
Appearance Yellow solid
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Exact Mass 289.095022582 u
Formula C15H15NO5
GC Column HP-5MS
InChI InChI=1S/C15H15NO5/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h4-9H,1-3H3
InChIKey CZHCRSXHXZZCPK-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 289.287 g/mol
Quality 64
Reported Formula C15H15NO5
SMILES COC1=C(C(=C(C=C1)C1=C(C=CC=C1)[N+](=O)[O-])OC)OC
SPLASH splash10-000i-0290000000-972fe2f36845f0f7d259
Source of Spectrum QE-27-SM8-19i (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.15 (hexane/EtOAc, 5:1)
Wiley ID 1904112