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6-(1-Cyclododecenyl)-4-dodecyn-5-ol
SpectraBase Compound ID BTjWdnIvHe5
InChI InChI=1S/C24H43O/c1-3-5-7-17-20-23(24(25)21-6-4-2)22-18-15-13-11-9-8-10-12-14-16-19-22/h18,23,25H,3-17,19-20H2,1-2H3/b22-18+
InChIKey LNUZMBDDCBLTDF-RELWKKBWSA-N
Mol Weight 347.6 g/mol
Molecular Formula C24H43O
Exact Mass 347.331391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jeqzbpk09He
Name 6-(1-Cyclododecenyl)-4-dodecyn-5-ol
Comments Note: The molecular formula of the structure shown is C24H43O - which differs from the formula reported for the mass spectrum (C24H42O)
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Formula C24H42O
InChI InChI=1S/C24H43O/c1-3-5-7-17-20-23(24(25)21-6-4-2)22-18-15-13-11-9-8-10-12-14-16-19-22/h18,23,25H,3-17,19-20H2,1-2H3/b22-18+
InChIKey LNUZMBDDCBLTDF-RELWKKBWSA-N
Molecular Weight 347.607 g/mol
SMILES O[C](#CCCC)C(CCCCCC)\C1=C\CCCCCCCCCC1
SPLASH splash10-03di-0293000000-df3d91fae7c79ca28853
Source of Spectrum J-63-9227-2
Synonyms ((E)-6-Cyclododec-1-enyl)-dodec-3-yn-5-ol 6-(1-Cyclododecenyl)-3-dodecyn-5-ol
Wiley ID 1339770