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4-piperidinone, 3,5-bis[(2,3-dimethoxyphenyl)methylene]-1-propyl-, (3E,5E)-
SpectraBase Compound ID AT6g8zduNBz
InChI InChI=1S/C26H31NO5/c1-6-13-27-16-20(14-18-9-7-11-22(29-2)25(18)31-4)24(28)21(17-27)15-19-10-8-12-23(30-3)26(19)32-5/h7-12,14-15H,6,13,16-17H2,1-5H3/b20-14+,21-15+
InChIKey TUTNWNLXFZPBGL-OZNQKUEASA-N
Mol Weight 437.54 g/mol
Molecular Formula C26H31NO5
Exact Mass 437.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgQLMcVbpBB
Name 4-Piperidinone, 3,5-bis[(2,3-dimethoxyphenyl)methylene]-1-propyl-, (3E,5E)-
Comments Computed using HOSE algorithm
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Exact Mass 437.220223097 u
Formula C26H31NO5
InChI InChI=1S/C26H31NO5/c1-6-13-27-16-20(14-18-9-7-11-22(29-2)25(18)31-4)24(28)21(17-27)15-19-10-8-12-23(30-3)26(19)32-5/h7-12,14-15H,6,13,16-17H2,1-5H3/b20-14+,21-15+
InChIKey TUTNWNLXFZPBGL-OZNQKUEASA-N
Molecular Weight 437.536 g/mol
SMILES C1(\C(CN(C\C1=C\C1=C(C(OC)=CC=C1)OC)CCC)=C\C1=C(C(OC)=CC=C1)OC)=O