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(-)-(4S,3E)-4-Butynoylnon-3-enenitrile
SpectraBase Compound ID 3ijNg4qKbGy
InChI InChI=1S/C13H21NO2/c1-3-5-6-9-12(10-7-11-14)16-13(15)8-4-2/h7,10,12H,3-6,8-9H2,1-2H3/b10-7+/t12-/m0/s1
InChIKey CVKKZHJUKLHBFH-PMDBQALLSA-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 DDzDwH82unn
Name (-)-(4S,3E)-4-Butynoylnon-3-enenitrile
Alternate Name(s) (-)-(4S,3E)-4-Butynoyl-oxy-non-2-enenitrile Butanoic acid [(E,3S)-1-cyanooct-1-en-3-yl] ester [(1S)-1-[(E)-2-cyanovinyl]hexyl] butanoate [(E,3S)-1-cyanooct-1-en-3-yl] butanoate
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Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-3-5-6-9-12(10-7-11-14)16-13(15)8-4-2/h7,10,12H,3-6,8-9H2,1-2H3/b10-7+/t12-/m0/s1
InChIKey CVKKZHJUKLHBFH-PMDBQALLSA-N
Molecular Weight 223.316 g/mol
SMILES C(#N)\C=C\[C@@](OC(=O)CCC)(CCCCC)[H]
SPLASH splash10-00di-9000000000-66fd741d53a9bd0d56d1
Source of Spectrum F-53-621-7
Wiley ID 800036