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2-[(2'E,6'E,10'E)-5'-Oxo-3',7',11',15'-tetramethylhexadeca-2',6',10',14'-tetraenyl]-6-methylhydroquinone
SpectraBase Compound ID 4fnN1MwHPgC
InChI InChI=1S/C27H38O3/c1-19(2)9-7-10-20(3)11-8-12-21(4)15-25(28)16-22(5)13-14-24-18-26(29)17-23(6)27(24)30/h9,11,13,15,17-18,29-30H,7-8,10,12,14,16H2,1-6H3/b20-11+,21-15+,22-13+
InChIKey NESKDGGRNAMQOK-WGOVEGMISA-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 HooX0RA3gYu
Name 2-[(2'E,6'E,10'E)-5'-Oxo-3',7',11',15'-tetramethylhexadeca-2',6',10',14'-tetraenyl]-6-methylhydroquinone
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-19(2)9-7-10-20(3)11-8-12-21(4)15-25(28)16-22(5)13-14-24-18-26(29)17-23(6)27(24)30/h9,11,13,15,17-18,29-30H,7-8,10,12,14,16H2,1-6H3/b20-11+,21-15+,22-13+
InChIKey NESKDGGRNAMQOK-WGOVEGMISA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030082f
Molecular Weight 410.598 g/mol
Reported Formula C27H38O3
SMILES Oc1cc(c(c(c1)C\C=C/(C)CC(\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O)O)C
SPLASH splash10-03g0-1910300000-43706ded05e5256bb51c
Source of Spectrum G4-66-974-5
Wiley ID 1881461