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2-[oxo(2-pyridinyl)methyl]-3-phenylpentanedioic acid diethyl ester
SpectraBase Compound ID 25AqvL1tcYN
InChI InChI=1S/C21H23NO5/c1-3-26-18(23)14-16(15-10-6-5-7-11-15)19(21(25)27-4-2)20(24)17-12-8-9-13-22-17/h5-13,16,19H,3-4,14H2,1-2H3
InChIKey CXZYXYWMABNKPL-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3odayiMroAC
Name 2-[oxo(2-pyridinyl)methyl]-3-phenylpentanedioic acid diethyl ester
Alternate Name(s) 3-Phenyl-2-picolinoyl-glutaric acid diethyl ester Diethyl 3-phenyl-2-(pyridine-2-carbonyl)pentanedioate Diethyl 3-phenyl-2-pyridin-2-ylcarbonyl-pentanedioate Pentanedioic acid, 3-phenyl-2-(2-pyridinylcarbonyl)-, diethyl ester
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Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-3-26-18(23)14-16(15-10-6-5-7-11-15)19(21(25)27-4-2)20(24)17-12-8-9-13-22-17/h5-13,16,19H,3-4,14H2,1-2H3
InChIKey CXZYXYWMABNKPL-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES C(C(CC(=O)OCC)c1ccccc1)(C(c1ncccc1)=O)C(=O)OCC
SPLASH splash10-004i-7981000000-f46020fba7018f2a3300
Wiley ID 1450167