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5-[(E)-but-2-enyl]-6-keto-nipecotic acid methyl ester
SpectraBase Compound ID 1BEp0w6Fxxv
InChI InChI=1S/C11H17NO3/c1-3-4-5-8-6-9(11(14)15-2)7-12-10(8)13/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)/b4-3+
InChIKey LTMBGMRWVYQSEH-ONEGZZNKSA-N
Mol Weight 211.26 g/mol
Molecular Formula C11H17NO3
Exact Mass 211.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IQMUWquGW
Name 5-[(E)-but-2-enyl]-6-keto-nipecotic acid methyl ester
Alternate Name(s) 5-[(E)-but-2-enyl]-6-oxo-3-piperidinecarboxylic acid methyl ester Methyl 5-[(E)-but-2-enyl]-6-oxidanylidene-piperidine-3-carboxylate Methyl 5-[(E)-but-2-enyl]-6-oxo-piperidine-3-carboxylate
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Formula C11H17NO3
InChI InChI=1S/C11H17NO3/c1-3-4-5-8-6-9(11(14)15-2)7-12-10(8)13/h3-4,8-9H,5-7H2,1-2H3,(H,12,13)/b4-3+
InChIKey LTMBGMRWVYQSEH-ONEGZZNKSA-N
Molecular Weight 211.261 g/mol
SMILES N1CC(CC(C1=O)C\C=C\C)C(=O)OC
SPLASH splash10-052b-8900000000-8a11a6bdc56fab495420
Source of Spectrum H-83-1761-23
Wiley ID 847283