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Methyl 5-oxo-5-(2'-pyridyl)-4-(p-tolyl) pentanoate
SpectraBase Compound ID d5tPI6CSRv
InChI InChI=1S/C18H19NO3/c1-13-6-8-14(9-7-13)15(10-11-17(20)22-2)18(21)16-5-3-4-12-19-16/h3-9,12,15H,10-11H2,1-2H3
InChIKey COQOGIKCZGLUCM-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPTCUfnKn8q
Name Methyl 5-oxo-5-(2'-pyridyl)-4-(p-tolyl) pentanoate
Alternate Name(s) Methyl 5-oxo-5-(pyridin-2-yl)-4-(p-tolyl)pentanoate
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Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-13-6-8-14(9-7-13)15(10-11-17(20)22-2)18(21)16-5-3-4-12-19-16/h3-9,12,15H,10-11H2,1-2H3
InChIKey COQOGIKCZGLUCM-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc00931b
Molecular Weight 297.354 g/mol
SMILES c1cc(C(C(c2ccc(cc2)C)CCC(=O)OC)=O)ncc1
SPLASH splash10-003r-7940000000-27c1ab29d45755ad4509
Source of Spectrum KD-50-5970/SMS10-3i
Wiley ID 1754497