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4-(1-Hydroxy-2-nonynyl)-benzoic acid, methyl ester

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4-(1-Hydroxy-2-nonynyl)-benzoic acid, methyl ester
SpectraBase Compound ID WbZ2rSIHkg
InChI InChI=1S/C17H22O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-7H2,1-2H3
InChIKey RYRVUGSAQDAFOA-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1H5COGrP7I
Name 4-(1-hydroxynon-2-ynyl)benzoic acid methyl ester
Alternate Name(s) Methyl 4-(1-hydroxynon-2-ynyl)benzoate Methyl 4-(1-oxidanylnon-2-ynyl)benzoate
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Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-7H2,1-2H3
InChIKey RYRVUGSAQDAFOA-UHFFFAOYSA-N
Molecular Weight 274.360 g/mol
SMILES OC(C#CCCCCCC)c1ccc(C(=O)OC)cc1
SPLASH splash10-03di-0960000000-b60d51b4b35a6c8bc538
Source of Spectrum C-111-8690-0
Wiley ID 1278415