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4-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid
SpectraBase Compound ID HOfIPUGOHlI
InChI InChI=1S/C27H38O3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27(29)30)17-18-26(24)28/h9,11,13,15,17-19,28H,6-8,10,12,14,16H2,1-5H3,(H,29,30)/b21-11+,22-13+,23-15+
InChIKey AQVOANKSGFAANH-FPFQZNTGSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 972sEBlV5ay
Name 4-Hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid
Alternate Name(s) 4-Oxidanyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid
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Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27(29)30)17-18-26(24)28/h9,11,13,15,17-19,28H,6-8,10,12,14,16H2,1-5H3,(H,29,30)/b21-11+,22-13+,23-15+
InChIKey AQVOANKSGFAANH-FPFQZNTGSA-N
Molecular Weight 410.598 g/mol
SMILES Oc1c(cc(C(=O)O)cc1)C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-014i-9500000000-95fa9056ccf44b778501
Source of Spectrum X2-52-617-1
Wiley ID 1603122