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5,5-Dimethyl-1-phenyl-2,6,7-octatrienone
SpectraBase Compound ID LET5rO9PsuE
InChI InChI=1S/C16H18O/c1-4-12-16(2,3)13-8-11-15(17)14-9-6-5-7-10-14/h5-12H,1,13H2,2-3H3/b11-8+
InChIKey KSCLVMVTEGRUGY-DHZHZOJOSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e21nab6hDY
Name 5,5-Dimethyl-1-phenyl-2,6,7-octatrienone
Alternate Name(s) (E)-5,5-dimethyl-1-phenylocta-2,6,7-trien-1-one (2E)-5,5-dimethyl-1-phenyl-1-octa-2,6,7-trienone (2E)-5,5-dimethyl-1-phenylocta-2,6,7-trien-1-one
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Formula C16H18O
InChI InChI=1S/C16H18O/c1-4-12-16(2,3)13-8-11-15(17)14-9-6-5-7-10-14/h5-12H,1,13H2,2-3H3/b11-8+
InChIKey KSCLVMVTEGRUGY-DHZHZOJOSA-N
Literature Reference DOI 10.1021/ol800509z
Molecular Weight 226.319 g/mol
SMILES C(C\C=C\C(=O)c1ccccc1)(C)(C)C=C=C
SPLASH splash10-0532-4900000000-03c4a62ab3f71b07c80c
Source of Spectrum A1-10-2633/SMS3-7
Wiley ID 1759389