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1-(3-HYDROXYPENT-1-EN-4-YNYL)-6-(1-HYDROXYPROP-2-YNYL)-CYCLOHEPTA-1,3,5-TRIENE;ISOMER-A
SpectraBase Compound ID 3fQoer9cRcz
InChI InChI=1S/C15H14O2/c1-3-14(16)10-9-12-7-5-6-8-13(11-12)15(17)4-2/h1-2,5-10,14-17H,11H2/b10-9+
InChIKey AEJWMFXPJDQGQA-MDZDMXLPSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpAG9UXyRvk
Name (E)-1-[6-(1-hydroxyprop-2-ynyl)-1-cyclohepta-1,3,5-trienyl]-3-pent-1-en-4-ynol
Comments Less than 3 mono-isotopic peaks
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Formula C15H14O2
InChI InChI=1S/C15H14O2/c1-3-14(16)10-9-12-7-5-6-8-13(11-12)15(17)4-2/h1-2,5-10,14-17H,11H2/b10-9+
InChIKey AEJWMFXPJDQGQA-MDZDMXLPSA-N
Molecular Weight 226.275 g/mol
SMILES OC(\C=C\C=1CC(C(C#C)O)=CC=CC1)C#C
SPLASH splash10-014i-0900000000-c6faf2a7ba2cb8b69ea9
Source of Spectrum KC-0-1463-16
Synonyms (E)-1-[6-(1-hydroxyprop-2-ynyl)cyclohepta-1,3,5-trien-1-yl]pent-1-en-4-yn-3-ol (E)-1-[6-(1-oxidanylprop-2-ynyl)cyclohepta-1,3,5-trien-1-yl]pent-1-en-4-yn-3-ol
Wiley ID 781325