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(2E,4E,14E)-1-(Piperidin-1-yl)icosa-2,4,14-trien-1-one
SpectraBase Compound ID 6bBEpvwmdNi
InChI InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h6-7,16-17,19,22H,2-5,8-15,18,20-21,23-24H2,1H3/b7-6+,17-16+,22-19+
InChIKey XZJZLXUTPLOJRS-BESTWRNISA-N
Mol Weight 373.6 g/mol
Molecular Formula C25H43NO
Exact Mass 373.334465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FP1adeCLQ5n
Name (2E,4E,14E)-1-(Piperidin-1-yl)icosa-2,4,14-trien-1-one
Comments Computed using HOSE algorithm
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Exact Mass 373.334465008 u
Formula C25H43NO
InChI InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h6-7,16-17,19,22H,2-5,8-15,18,20-21,23-24H2,1H3/b7-6+,17-16+,22-19+
InChIKey XZJZLXUTPLOJRS-BESTWRNISA-N
Molecular Weight 373.625 g/mol
SMILES C(\C=C\C=C\CCCCCCCC\C=C\CCCCC)(=O)N1CCCCC1