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2,4-Pentanedione, 3-(2-octenyl)-, (E)-
SpectraBase Compound ID 4kB96JAUeFD
InChI InChI=1S/C13H22O2/c1-4-5-6-7-8-9-10-13(11(2)14)12(3)15/h8-9,13H,4-7,10H2,1-3H3/b9-8+
InChIKey UBTWMTZPIZXBMC-CMDGGOBGSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KOCC8bJYYO
Name 2,4-Pentanedione, 3-(2-octenyl)-, (E)-
CAS Registry Number 80403-79-8
Comments Less than 3 mono-isotopic peaks
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Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-4-5-6-7-8-9-10-13(11(2)14)12(3)15/h8-9,13H,4-7,10H2,1-3H3/b9-8+
InChIKey UBTWMTZPIZXBMC-CMDGGOBGSA-N
Molecular Weight 210.317 g/mol
SMILES C(C(=O)C)(C(=O)C)C\C=C\CCCCC
SPLASH splash10-0006-9000000000-db9f4269c6bef1018460
Source of Spectrum F-37-3014-0
Synonyms 3-((E)-2-octen-1-yl)pentane-2,4-dione 3-[(2E)-2-octenyl]-2,4-pentanedione
Wiley ID 1209465