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1-((3R*,4S*)-4-Methoxy-2-methylhex-5-yn-3-yl)piperidin-2-one
SpectraBase Compound ID F9rIAWHmMRz
InChI InChI=1S/C13H21NO2/c1-5-11(16-4)13(10(2)3)14-9-7-6-8-12(14)15/h1,10-11,13H,6-9H2,2-4H3/t11-,13+/m0/s1
InChIKey RCXPGKLKTRMASI-WCQYABFASA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QgsTcYaPkV
Name 1-((3R*,4S*)-4-Methoxy-2-methylhex-5-yn-3-yl)piperidin-2-one
Alternate Name(s) 1-((3R,4S)-4-methoxy-2-methylhex-5-yn-3-yl)piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-5-11(16-4)13(10(2)3)14-9-7-6-8-12(14)15/h1,10-11,13H,6-9H2,2-4H3/t11-,13+/m0/s1
InChIKey RCXPGKLKTRMASI-WCQYABFASA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 223.316 g/mol
SMILES C1CCN([C@](C(C)C)([C@@](OC)(C#C)[H])[H])C(C1)=O
SPLASH splash10-0pb9-9500000000-1398c6d7ceffa25280bd
Source of Spectrum A1-9-4375/SM11-12
Wiley ID 1758695