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6-(4-Bromophenyl)-8,9-dimethoxyphenanthridine
SpectraBase Compound ID ELSyffg0T8
InChI InChI=1S/C21H16BrNO2/c1-24-19-11-16-15-5-3-4-6-18(15)23-21(17(16)12-20(19)25-2)13-7-9-14(22)10-8-13/h3-12H,1-2H3
InChIKey KBIHKTHOEMBSNI-UHFFFAOYSA-N
Mol Weight 394.27 g/mol
Molecular Formula C21H16BrNO2
Exact Mass 393.036442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6ApWFyPxrb
Name 6-(4-Bromophenyl)-8,9-dimethoxyphenanthridine
Appearance White solid
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Exact Mass 393.036441757 u
Formula C21H16BrNO2
GC Column HP-5MS
InChI InChI=1S/C21H16BrNO2/c1-24-19-11-16-15-5-3-4-6-18(15)23-21(17(16)12-20(19)25-2)13-7-9-14(22)10-8-13/h3-12H,1-2H3
InChIKey KBIHKTHOEMBSNI-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 394.268 g/mol
Reported Formula C21H16BrNO2
SMILES C1(Br)=CC=C(C=C1)C1=NC2=C(C3=C1C=C(C(=C3)OC)OC)C=CC=C2
SPLASH splash10-0007-0009000000-0f52b114fe2f588afec0
Source of Spectrum QE-27-SM29-20ad (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.32 (hexane/EtOAc, 3:1)
Wiley ID 1904116