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3',5'-Dimethoxy-2-nitro-1,1'-biphenyl
SpectraBase Compound ID Klb1IIrbzdq
InChI InChI=1S/C14H13NO4/c1-18-11-7-10(8-12(9-11)19-2)13-5-3-4-6-14(13)15(16)17/h3-9H,1-2H3
InChIKey ITJWPMODPAJOTE-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C14H13NO4
Exact Mass 259.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOmbogLdqQi
Name 3',5'-Dimethoxy-2-nitro-1,1'-biphenyl
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.084457899 u
Formula C14H13NO4
GC Column HP-5MS
InChI InChI=1S/C14H13NO4/c1-18-11-7-10(8-12(9-11)19-2)13-5-3-4-6-14(13)15(16)17/h3-9H,1-2H3
InChIKey ITJWPMODPAJOTE-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 259.261 g/mol
Quality 55
Reported Formula C14H12NO4
SMILES COC=1C=C(C=C(C1)C1=C(C=CC=C1)[N+](=O)[O-])OC
SPLASH splash10-0a4i-0390000000-a61c1bb5e7adcf9cb331
Source of Spectrum QE-27-SM6-19b (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.27 (hexane/EtOAc, 5:1)
Wiley ID 1904106