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2-(1'-Naphthyl)-4-[2"-oxo-1"-(ethoxycarbonyl)cyclopent-1"-yl]-quinoline
SpectraBase Compound ID 7jyH07yucei
InChI InChI=1S/C27H23NO3/c1-2-31-26(30)27(16-8-15-25(27)29)22-17-24(28-23-14-6-5-12-21(22)23)20-13-7-10-18-9-3-4-11-19(18)20/h3-7,9-14,17H,2,8,15-16H2,1H3
InChIKey VHJZAVZYQFKZEC-UHFFFAOYSA-N
Mol Weight 409.49 g/mol
Molecular Formula C27H23NO3
Exact Mass 409.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXbkTYUU6mw
Name 2-(1'-Naphthyl)-4-[2"-oxo-1"-(ethoxycarbonyl)cyclopent-1"-yl]-quinoline
Alternate Name(s) ethyl 1-[2-(1-naphthyl)-4-quinolinyl]-2-oxocyclopentanecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C27H23NO3
InChI InChI=1S/C27H23NO3/c1-2-31-26(30)27(16-8-15-25(27)29)22-17-24(28-23-14-6-5-12-21(22)23)20-13-7-10-18-9-3-4-11-19(18)20/h3-7,9-14,17H,2,8,15-16H2,1H3
InChIKey VHJZAVZYQFKZEC-UHFFFAOYSA-N
Molecular Weight 409.485 g/mol
SMILES C1(c2cc(-c3c4c(cccc4)ccc3)nc3c2cccc3)(C(=O)OCC)C(=O)CCC1
SPLASH splash10-0a4i-0001900000-66db8a1d75afe241e8bc
Source of Spectrum D1-2007-1036-3
Wiley ID 1614453