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1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one, isomer 2
SpectraBase Compound ID HL2milk59HT
InChI InChI=1S/C21H23NO/c23-21(19-12-6-2-7-13-19)20(16-18-10-4-1-5-11-18)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2/b20-16-
InChIKey UBMWIWOZOGGSGI-SILNSSARSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tgpDgSRG2n
Name 1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one, isomer 2
Comments Computed using HOSE algorithm
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Exact Mass 305.177964364 u
Formula C21H23NO
InChI InChI=1S/C21H23NO/c23-21(19-12-6-2-7-13-19)20(16-18-10-4-1-5-11-18)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2/b20-16-
InChIKey UBMWIWOZOGGSGI-SILNSSARSA-N
Molecular Weight 305.421 g/mol
SMILES C(\C(=C/C1=CC=CC=C1)CN1CCCCC1)(=O)C1=CC=CC=C1