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(E)-2-cyano-2-dodecenoic acid ethyl ester
SpectraBase Compound ID IQK8S8XtQ37
InChI InChI=1S/C15H25NO2/c1-3-5-6-7-8-9-10-11-12-14(13-16)15(17)18-4-2/h12H,3-11H2,1-2H3/b14-12+
InChIKey BMAMPADHSDSRDX-WYMLVPIESA-N
Mol Weight 251.37 g/mol
Molecular Formula C15H25NO2
Exact Mass 251.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWBUIwctxXi
Name (E)-2-cyano-2-dodecenoic acid ethyl ester
Alternate Name(s) (E)-2-cyanododec-2-enoic acid ethyl ester Ethyl (E)-2-cyanododec-2-enoate
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Formula C15H25NO2
InChI InChI=1S/C15H25NO2/c1-3-5-6-7-8-9-10-11-12-14(13-16)15(17)18-4-2/h12H,3-11H2,1-2H3/b14-12+
InChIKey BMAMPADHSDSRDX-WYMLVPIESA-N
Molecular Weight 251.370 g/mol
SMILES C(\C(C#N)=C\CCCCCCCCC)(=O)OCC
SPLASH splash10-05o3-6900000000-2ca2e750d1ce2cc592c6
Source of Spectrum K1-2004-550-3
Wiley ID 1560266