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1,6-BIS-(3-HYDROXYPENT-1-EN-4-YNYL)-CYCLOHEPTA-1,3,5-TRIENE
SpectraBase Compound ID 6nLBbALlxOK
InChI InChI=1S/C17H16O2/c1-3-16(18)11-9-14-7-5-6-8-15(13-14)10-12-17(19)4-2/h1-2,5-12,16-19H,13H2/b11-9+,12-10+
InChIKey OJPLMXWTZCGUOL-WGDLNXRISA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82km4nmgjLv
Name (E)-1-[6-[(E)-3-hydroxypent-1-en-4-ynyl]-1-cyclohepta-1,3,5-trienyl]-3-pent-1-en-4-ynol
Alternate Name(s) (E)-1-[6-[(E)-3-hydroxypent-1-en-4-ynyl]cyclohepta-1,3,5-trien-1-yl]pent-1-en-4-yn-3-ol (E)-1-[6-[(E)-3-oxidanylpent-1-en-4-ynyl]cyclohepta-1,3,5-trien-1-yl]pent-1-en-4-yn-3-ol
Comments Less than 3 mono-isotopic peaks
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Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-3-16(18)11-9-14-7-5-6-8-15(13-14)10-12-17(19)4-2/h1-2,5-12,16-19H,13H2/b11-9+,12-10+
InChIKey OJPLMXWTZCGUOL-WGDLNXRISA-N
Molecular Weight 252.313 g/mol
SMILES OC(\C=C\C1=CC=CC=C(\C=C\C(C#C)O)C1)C#C
SPLASH splash10-0gb9-0980000000-2d76446995b081f2b21f
Source of Spectrum KC-0-1463-17
Wiley ID 781323