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cis-1-(2R,3'S)-[2,3']Bipiperidinyl-1'-yl-3-phenylpropenone [(+)-Astrophylline]
SpectraBase Compound ID A8nnoPFmBHi
InChI InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m0/s1
InChIKey XIZYLQMCWHMQNP-IXTIOBCPSA-N
Mol Weight 298.43 g/mol
Molecular Formula C19H26N2O
Exact Mass 298.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3p9hH6lbFZn
Name cis-1-(2R,3'S)-[2,3']Bipiperidinyl-1'-yl-3-phenylpropenone [(+)-Astrophylline]
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Formula C19H26N2O
InChI InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m0/s1
InChIKey XIZYLQMCWHMQNP-IXTIOBCPSA-N
Molecular Weight 298.430 g/mol
SMILES N1CCCC[C@@]1([C@@]1(CN(C(\C=C/c2ccccc2)=O)CCC1)[H])[H]
SPLASH splash10-001i-9320000000-85a62020e7e47e470ab6
Source of Spectrum F-68-2920-2
Synonyms (Z)-3-phenyl-1-[(3S)-3-[(2R)-2-piperidinyl]-1-piperidinyl]-2-propen-1-one (Z)-3-phenyl-1-[(3S)-3-[(2R)-2-piperidyl]-1-piperidyl]prop-2-en-1-one (Z)-3-phenyl-1-[(3S)-3-[(2R)-piperidin-2-yl]piperidin-1-yl]prop-2-en-1-one
Wiley ID 1572183