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4-((E)-1-Hydroxy-2-nonenyl)-benzoic acid, 4-decyloxy-phenyl ester
SpectraBase Compound ID G5nuMyNQ1WB
InChI InChI=1S/C32H46O4/c1-3-5-7-9-11-12-14-16-26-35-29-22-24-30(25-23-29)36-32(34)28-20-18-27(19-21-28)31(33)17-15-13-10-8-6-4-2/h15,17-25,31,33H,3-14,16,26H2,1-2H3/b17-15+
InChIKey ZBMGXWZSEQNLGQ-BMRADRMJSA-N
Mol Weight 494.7 g/mol
Molecular Formula C32H46O4
Exact Mass 494.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Q5SCkBmX5u
Name 4'-(n-decyloxy)phenyl 4-[(E)-1-hydroxy-2-nonenyl]benzoate
CAS Registry Number 117438-61-6
Comments Less than 3 mono-isotopic peaks
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Formula C32H46O4
InChI InChI=1S/C32H46O4/c1-3-5-7-9-11-12-14-16-26-35-29-22-24-30(25-23-29)36-32(34)28-20-18-27(19-21-28)31(33)17-15-13-10-8-6-4-2/h15,17-25,31,33H,3-14,16,26H2,1-2H3/b17-15+
InChIKey ZBMGXWZSEQNLGQ-BMRADRMJSA-N
Molecular Weight 494.716 g/mol
SMILES OC(\C=C\CCCCCC)c1ccc(C(Oc2ccc(cc2)OCCCCCCCCCC)=O)cc1
SPLASH splash10-0002-0090100000-bcdfcd03b8ecf15224fa
Source of Spectrum C-111-8689-0
Synonyms 4-(decyloxy)phenyl 4-[(2E)-1-hydroxy-2-nonenyl]benzoate (4-decoxyphenyl) 4-[(E)-1-hydroxynon-2-enyl]benzoate (4-decoxyphenyl) 4-[(E)-1-oxidanylnon-2-enyl]benzoate
Wiley ID 1397995