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5-((8Z,11Z,14Z)-hexatriaconta-8,11,14-trien-1-yl)benzene-1,3-diol

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5-((8Z,11Z,14Z)-hexatriaconta-8,11,14-trien-1-yl)benzene-1,3-diol
SpectraBase Compound ID IECoytU0yMd
InChI InChI=1S/C42H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-40-37-41(43)39-42(44)38-40/h22-23,25-26,28-29,37-39,43-44H,2-21,24,27,30-36H2,1H3/b23-22-,26-25-,29-28-
InChIKey ZIXAAYDMACWJQU-JOCFMXDJSA-N
Mol Weight 609.0 g/mol
Molecular Formula C42H72O2
Exact Mass 608.553232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cjxD99rbqo
Name 5-((8Z,11Z,14Z)-Hexatriaconta-8,11,14-trien-1-yl)benzene-1,3-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.553231556 u
Formula C42H72O2
InChI InChI=1S/C42H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-40-37-41(43)39-42(44)38-40/h22-23,25-26,28-29,37-39,43-44H,2-21,24,27,30-36H2,1H3/b23-22-,26-25-,29-28-
InChIKey ZIXAAYDMACWJQU-JOCFMXDJSA-N
Molecular Weight 609.036 g/mol
SMILES C1(=CC(=CC(=C1)O)CCCCCCC\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCCC)O