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1-((3R*,4S*)-4-Ethyl-2-methylhex-5-yn-3-yl)piperidin-2-one
SpectraBase Compound ID BCQ6PVpOn3J
InChI InChI=1S/C14H23NO/c1-5-12(6-2)14(11(3)4)15-10-8-7-9-13(15)16/h1,11-12,14H,6-10H2,2-4H3/t12-,14-/m1/s1
InChIKey GBDLEJWUPUXIMD-TZMCWYRMSA-N
Mol Weight 221.34 g/mol
Molecular Formula C14H23NO
Exact Mass 221.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6379FLpYXI
Name 1-((3R*,4S*)-4-Ethyl-2-methylhex-5-yn-3-yl)piperidin-2-one
Alternate Name(s) 1-((3R,4S)-4-ethyl-2-methylhex-5-yn-3-yl)piperidin-2-one 1-[(3R,4S)-4-ethyl-2-methylhex-5-yn-3-yl]-2-piperidinone 1-[(3R,4S)-4-ethyl-2-methylhex-5-yn-3-yl]piperidin-2-one 1-[(1R,2S)-2-ethyl-1-isopropyl-but-3-ynyl]piperidin-2-one 1-[(3R,4S)-4-ethyl-2-methyl-hex-5-yn-3-yl]piperidin-2-one
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Formula C14H23NO
InChI InChI=1S/C14H23NO/c1-5-12(6-2)14(11(3)4)15-10-8-7-9-13(15)16/h1,11-12,14H,6-10H2,2-4H3/t12-,14-/m1/s1
InChIKey GBDLEJWUPUXIMD-TZMCWYRMSA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 221.344 g/mol
SMILES C1CCN([C@](C(C)C)([C@@](CC)(C#C)[H])[H])C(C1)=O
SPLASH splash10-0zfr-8900000000-36d6870d84430703d01b
Source of Spectrum A1-9-4375/SM11-11
Wiley ID 1758694