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3,5,8,10,12-Pentadecapentaene-1,14-diyn-7-one, 3,6,13-trimethyl-, (E,E,Z,Z,E)-
SpectraBase Compound ID 3u784NSu1gF
InChI InChI=1S/C18H18O/c1-6-15(3)11-9-8-10-12-18(19)17(5)14-13-16(4)7-2/h1-2,8-14H,3-5H3/b9-8-,12-10-,15-11+,16-13+,17-14+
InChIKey XGIZJVSENPQWMT-FLQJDHPGSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAMArmi4kRp
Name 3,5,8,10,12-Pentadecapentaene-1,14-diyn-7-one, 3,6,13-trimethyl-, (E,E,Z,Z,E)-
Alternate Name(s) (3E,5E,8Z,10Z,12E)-3,6,13-trimethyl-3,5,8,10,12-pentadecapentaene-1,14-diyn-7-one 2,3-Dimethylpentadeca-3,5,7,10,12-pentaen-1,14-diyn-9-one
CAS Registry Number 78072-18-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H18O
InChI InChI=1S/C18H18O/c1-6-15(3)11-9-8-10-12-18(19)17(5)14-13-16(4)7-2/h1-2,8-14H,3-5H3/b9-8-,12-10-,15-11+,16-13+,17-14+
InChIKey XGIZJVSENPQWMT-FLQJDHPGSA-N
Molecular Weight 250.341 g/mol
SMILES C(\C(=C\C=C\(C#C)C)C)(\C=C/C=C\C=C\(C#C)C)=O
SPLASH splash10-001i-0090000000-9fa31668dd0314c6f63c
Source of Spectrum KC-1981-957-0
Wiley ID 1254131