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Methyl 4-methyl-5-oxo-5-(2'-pyridyl) pentanoate
SpectraBase Compound ID DfxZLAOeUey
InChI InChI=1S/C13H17NO3/c1-13(2,8-7-11(15)17-3)12(16)10-6-4-5-9-14-10/h4-6,9H,7-8H2,1-3H3
InChIKey HMDPDANCFVJLFN-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7Nc600AOPI
Name Methyl 4-methyl-5-oxo-5-(2'-pyridyl) pentanoate
Alternate Name(s) Methyl 4,4-dimethyl-5-oxo-5-(pyridin-2-yl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-13(2,8-7-11(15)17-3)12(16)10-6-4-5-9-14-10/h4-6,9H,7-8H2,1-3H3
InChIKey HMDPDANCFVJLFN-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc00931b
Molecular Weight 235.283 g/mol
SMILES CC(C)(C(c1ncccc1)=O)CCC(=O)OC
SPLASH splash10-004i-9500000000-b65b56971bcc57387048
Source of Spectrum KD-50-5970/SMS11-3n
Wiley ID 1754502