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3-[(2E)-2-(cyanomethylene)piperidino]propionic acid ethyl ester
SpectraBase Compound ID DU4MtVyByxX
InChI InChI=1S/C12H18N2O2/c1-2-16-12(15)7-10-14-9-4-3-5-11(14)6-8-13/h6H,2-5,7,9-10H2,1H3/b11-6+
InChIKey JHUVVYJWQGSRCG-IZZDOVSWSA-N
Mol Weight 222.29 g/mol
Molecular Formula C12H18N2O2
Exact Mass 222.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kw4Ygdc80N
Name 3-[(2E)-2-(cyanomethylene)piperidino]propionic acid ethyl ester
Alternate Name(s) 3-[(2E)-2-(cyanomethylidene)-1-piperidinyl]propanoic acid ethyl ester Ethyl 3-[(2E)-2-(cyanomethylene)-1-piperidyl]propanoate Ethyl 3-[(2E)-2-(cyanomethylidene)piperidin-1-yl]propanoate
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Formula C12H18N2O2
InChI InChI=1S/C12H18N2O2/c1-2-16-12(15)7-10-14-9-4-3-5-11(14)6-8-13/h6H,2-5,7,9-10H2,1H3/b11-6+
InChIKey JHUVVYJWQGSRCG-IZZDOVSWSA-N
Molecular Weight 222.288 g/mol
SMILES C(\C=C\1N(CCCC1)CCC(=O)OCC)#N
SPLASH splash10-0072-7910000000-74960ff1b99f6ee25fc1
Source of Spectrum F-48-10214-8
Wiley ID 1222378