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2,3-Dimethyl-5-(3,7,11,15-tetramethyl-3-oxidanyl-hexadecyl)cyclohexa-2,5-diene-1,4-dione

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2,3-Dimethyl-5-(3,7,11,15-tetramethyl-3-oxidanyl-hexadecyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 1elpFtyWhDP
InChI InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-19-26(29)23(5)24(6)27(25)30/h19-22,31H,8-18H2,1-7H3
InChIKey XEXGHDCZBILZDD-UHFFFAOYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2a2dIswNkd
Name 2,3-Dimethyl-5-(3,7,11,15-tetramethyl-3-oxidanyl-hexadecyl)cyclohexa-2,5-diene-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.360345403 u
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-19-26(29)23(5)24(6)27(25)30/h19-22,31H,8-18H2,1-7H3
InChIKey XEXGHDCZBILZDD-UHFFFAOYSA-N
Molecular Weight 432.689 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)CCC(O)(CCCC(CCCC(CCCC(C)C)C)C)C)C)C