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1H-Imidazole, 1-(12-methyl-1-oxo-8,10,12-tetradecatrienyl)-, (E,E,E)-
SpectraBase Compound ID Go2ue8JtBLb
InChI InChI=1S/C18H26N2O/c1-3-17(2)12-10-8-6-4-5-7-9-11-13-18(21)20-15-14-19-16-20/h3,6,8,10,12,14-16H,4-5,7,9,11,13H2,1-2H3/b8-6+,12-10+,17-3+
InChIKey JJVVEQYKXDZBJH-JUHYOTFASA-N
Mol Weight 286.42 g/mol
Molecular Formula C18H26N2O
Exact Mass 286.204513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPUDHONUXI6
Name 1H-Imidazole, 1-(12-methyl-1-oxo-8,10,12-tetradecatrienyl)-, (E,E,E)-
Comments Computed using HOSE algorithm
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Exact Mass 286.204513464 u
Formula C18H26N2O
InChI InChI=1S/C18H26N2O/c1-3-17(2)12-10-8-6-4-5-7-9-11-13-18(21)20-15-14-19-16-20/h3,6,8,10,12,14-16H,4-5,7,9,11,13H2,1-2H3/b8-6+,12-10+,17-3+
InChIKey JJVVEQYKXDZBJH-JUHYOTFASA-N
SMILES C(N1C=NC=C1)(=O)CCCCCC\C=C\C=C\C(=C\C)C