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(S)-(+)-4-(n-Hexyl)hexa-4,5-dien-1-yn-3-ol
SpectraBase Compound ID CRajglCij0Z
InChI InChI=1S/C12H18O/c1-4-7-8-9-10-11(5-2)12(13)6-3/h3,12-13H,2,4,7-10H2,1H3/t12-/m0/s1
InChIKey AFXPBEMTURREOC-LBPRGKRZSA-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 Gvj5k56stC2
Name (S)-(+)-4-(n-Hexyl)hexa-4,5-dien-1-yn-3-ol
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-7-8-9-10-11(5-2)12(13)6-3/h3,12-13H,2,4,7-10H2,1H3/t12-/m0/s1
InChIKey AFXPBEMTURREOC-LBPRGKRZSA-N
Molecular Weight 178.275 g/mol
SMILES O[C@@](C#C)(C(=C=C)CCCCCC)[H]
SPLASH splash10-004i-9000000000-3973e75e5d245329f5f6
Source of Spectrum KD-14-3662-1
Synonyms (3S)-4-hexyl-4,5-hexadien-1-yn-3-ol (3S)-4-ethenylidene-1-decyn-3-ol (3S)-4-vinylidenedec-1-yn-3-ol (3S)-4-ethenylidenedec-1-yn-3-ol
Wiley ID 1636500