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1-[1-OXO-5-(3,4-METHYLENEDIOXYPHENYL)-2Z,4E-PENTADIENYL]-PIPERIDINE
SpectraBase Compound ID 91o5f19sUsK
InChI InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2-
InChIKey GQIJYUMTOUBHSH-KQBQUPHGSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kfiyCIeCIm
Name 1-[1-Oxo-5(3,4-methylenedioxyphenyl)-2Z,4E-pentadienyl]pyrrolidine
Appearance Colorless oil
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Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2-
InChIKey GQIJYUMTOUBHSH-KQBQUPHGSA-N
Instrument Name JEOL JMS-AX505HA
Ionization Type EI
Literature Reference DOI 10.1021/np030475e
Molecular Weight 271.316 g/mol
Reported Formula C16H17NO3
SMILES C(=O)(\C=C/C=C/c1cc2c(cc1)OCO2)N1CCCC1
SPLASH splash10-0fk9-0490000000-2dc061a779b58e527f70
Source of Spectrum G4-67-1009-7
Wiley ID 1881810