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(S)-(+)-4-(n-Butyl)octa-1,2-dien-5-yn-4-ol
SpectraBase Compound ID DgUJOrDp7Io
InChI InChI=1S/C12H18O/c1-4-7-10-12(13,9-6-3)11-8-5-2/h9,13H,3-5,7,10H2,1-2H3/t12-/m1/s1
InChIKey BLIZDJADAXNEFQ-GFCCVEGCSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7ygORaPpba
Name (S)-(+)-4-(n-Butyl)octa-1,2-dien-5-yn-4-ol
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-7-10-12(13,9-6-3)11-8-5-2/h9,13H,3-5,7,10H2,1-2H3/t12-/m1/s1
InChIKey BLIZDJADAXNEFQ-GFCCVEGCSA-N
Molecular Weight 178.275 g/mol
SMILES O[C@@](C=C=C)(C#CCC)CCCC
SPLASH splash10-003r-9500000000-ea005732f42af76d69cb
Source of Spectrum KD-14-3665-4
Synonyms (4S)-4-butyl-1,2-octadien-5-yn-4-ol
Wiley ID 1636477