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4-(3-Methoxycarbonyl-azulen-1-yl)-2,6-diphenylpyridine
SpectraBase Compound ID Da7mkdVjOI3
InChI InChI=1S/C29H21NO2/c1-32-29(31)26-19-25(23-15-9-4-10-16-24(23)26)22-17-27(20-11-5-2-6-12-20)30-28(18-22)21-13-7-3-8-14-21/h2-19H,1H3
InChIKey BNIBOGFBDJBJAR-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C29H21NO2
Exact Mass 415.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L05Hi1I01zP
Name 4-(3-Methoxycarbonyl-azulen-1-yl)-2,6-diphenylpyridine
Appearance Violet crystals
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Formula C29H21NO2
InChI InChI=1S/C29H21NO2/c1-32-29(31)26-19-25(23-15-9-4-10-16-24(23)26)22-17-27(20-11-5-2-6-12-20)30-28(18-22)21-13-7-3-8-14-21/h2-19H,1H3
InChIKey BNIBOGFBDJBJAR-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 415.492 g/mol
SMILES c1cccc2c(c1)c(cc2-c1cc(nc(c1)-c1ccccc1)-c1ccccc1)C(OC)=O
SPLASH splash10-014i-2013900000-644833fbb68d62bb0d97
Source of Spectrum ARK-2006-128-3d
Wiley ID 1871154