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2-Methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1,4-benzoquinone
SpectraBase Compound ID HrPzvkMm6k8
InChI InChI=1S/C27H38O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18-19H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
InChIKey CLBZFGYNUBWKJX-MLAGYPMBSA-N
Mol Weight 394.6 g/mol
Molecular Formula C27H38O2
Exact Mass 394.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Mk6Jjs5njy
Name 2-Methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1,4-benzoquinone
Alternate Name(s) 2-Methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-p-benzoquinone 2-Methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 81010-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O2
InChI InChI=1S/C27H38O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18-19H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
InChIKey CLBZFGYNUBWKJX-MLAGYPMBSA-N
Molecular Weight 394.599 g/mol
SMILES C1(=CC(=O)C(=CC1=O)C)C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-00kr-6911000000-6215bc8f2a493bc297e9
Source of Spectrum B-34-2680-0
Wiley ID 1366881