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Methyl 4-benzyl-5-oxo-5-(2'-pyridyl) pentanoate
SpectraBase Compound ID 2pfT8KgcJol
InChI InChI=1S/C18H19NO3/c1-22-17(20)11-10-15(13-14-7-3-2-4-8-14)18(21)16-9-5-6-12-19-16/h2-9,12,15H,10-11,13H2,1H3
InChIKey JTIUIEQLQXUNQD-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 C2XrQc87TVd
Name Methyl 4-benzyl-5-oxo-5-(2'-pyridyl) pentanoate
Alternate Name(s) Methyl 4-benzyl-5-oxo-5-(pyridin-2-yl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-22-17(20)11-10-15(13-14-7-3-2-4-8-14)18(21)16-9-5-6-12-19-16/h2-9,12,15H,10-11,13H2,1H3
InChIKey JTIUIEQLQXUNQD-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc00931b
Molecular Weight 297.354 g/mol
SMILES c1cc(C(C(Cc2ccccc2)CCC(=O)OC)=O)ncc1
SPLASH splash10-004i-9310000000-1d49cf6755bf8ba3016c
Source of Spectrum KD-50-5970/SMS11-3l
Wiley ID 1754500