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(E)-4-Ethyl-6-(6-hydroxymethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-hex-3-en-5-yn-2-one
SpectraBase Compound ID 1v2ZU7ytX94
InChI InChI=1S/C16H23NO2/c1-3-13(8-12(2)19)4-5-15-10-17-7-6-14(15)9-16(17)11-18/h8,14-16,18H,3,6-7,9-11H2,1-2H3/b13-8+/t14-,15-,16+/m1/s1
InChIKey AWMFPFYHKXIQIP-NOBOXSFCSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYRJJNZJPzG
Name (E)-4-Ethyl-6-(6-hydroxymethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-hex-3-en-5-yn-2-one
Alternate Name(s) 4-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-ylethynyl-(Z)-4-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-3-13(8-12(2)19)4-5-15-10-17-7-6-14(15)9-16(17)11-18/h8,14-16,18H,3,6-7,9-11H2,1-2H3/b13-8+/t14-,15-,16+/m1/s1
InChIKey AWMFPFYHKXIQIP-NOBOXSFCSA-N
Molecular Weight 261.365 g/mol
SMILES OC[C@]1(N2C[C@@](C#C\C(=C\C(=O)C)CC)([C@](CC2)(C1)[H])[H])[H]
SPLASH splash10-03e9-0090000000-27cf55d96d656d406699
Source of Spectrum F-65-6231-7g
Wiley ID 1680208