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3-(2,6-Diphenylpyridin-4-yl)-azulen-1-yl benzoate
SpectraBase Compound ID GH2XKNJoITg
InChI InChI=1S/C34H23NO2/c36-34(26-17-9-3-10-18-26)37-33-23-30(28-19-11-4-12-20-29(28)33)27-21-31(24-13-5-1-6-14-24)35-32(22-27)25-15-7-2-8-16-25/h1-23H
InChIKey MKQCEEYONDCZBV-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C34H23NO2
Exact Mass 477.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LT3iWGFoBf
Name 3-(2,6-Diphenylpyridin-4-yl)-azulen-1-yl benzoate
Appearance Green crystals
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Formula C34H23NO2
InChI InChI=1S/C34H23NO2/c36-34(26-17-9-3-10-18-26)37-33-23-30(28-19-11-4-12-20-29(28)33)27-21-31(24-13-5-1-6-14-24)35-32(22-27)25-15-7-2-8-16-25/h1-23H
InChIKey MKQCEEYONDCZBV-UHFFFAOYSA-N
Instrument Name JEOL JMS-DX303 or Finnigan MAT 311-A/100 MS or Carlo Erba QMD 1000
Ionization Type EI positive ion
Literature Reference DOI 10.3998/ark.5550190.0007.c14
Molecular Weight 477.563 g/mol
SMILES c1cccc2c(c1)c(cc2-c1cc(nc(c1)-c1ccccc1)-c1ccccc1)OC(c1ccccc1)=O
SPLASH splash10-056r-9826700000-a37e65ec4fd8945f21fb
Source of Spectrum ARK-2006-127-3b
Wiley ID 1871152