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(E,17S)-17-hydroxyoctadec-15-en-9,11,13-triynoic acid
SpectraBase Compound ID K33eEWJdhY2
InChI InChI=1S/C18H22O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h13,15,17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/b15-13+/t17-/m0/s1
InChIKey UQORHUYKZNBNLF-VOGRQWBCSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUc1wsbHICT
Name (E,17S)-17-hydroxyoctadec-15-en-9,11,13-triynoic acid
Alternate Name(s) (E,17S)-17-oxidanyloctadec-15-en-9,11,13-triynoic acid
Comments Removed - expert review: contamination (DOP)
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h13,15,17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/b15-13+/t17-/m0/s1
InChIKey UQORHUYKZNBNLF-VOGRQWBCSA-N
Molecular Weight 286.371 g/mol
SMILES O[C@](\C=C\C#CC#CC#CCCCCCCCC(=O)O)(C)[H]
SPLASH splash10-0002-2900000000-179eee55a584548dc522
Source of Spectrum G4-64-248-3
Wiley ID 1608793