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2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(9-octadecenyl)ester

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2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(9-octadecenyl)ester
SpectraBase Compound ID 2Vll9RFhjW1
InChI InChI=1S/C44H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-43(47)39-37-42(46)40(38-41(39)45)44(48)50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-46H,3-16,21-38H2,1-2H3
InChIKey UVEYSDOEDMCKHU-UHFFFAOYSA-N
Mol Weight 701.1 g/mol
Molecular Formula C44H76O6
Exact Mass 700.56419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuuXedwZ4N1
Name 2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(9-octadecenyl)ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 700.564190161 u
Formula C44H76O6
InChI InChI=1S/C44H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-43(47)39-37-42(46)40(38-41(39)45)44(48)50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-46H,3-16,21-38H2,1-2H3
InChIKey UVEYSDOEDMCKHU-UHFFFAOYSA-N
Molecular Weight 701.086 g/mol
SMILES OC=1CC(=C(CC1C(OCCCCCCCCC=CCCCCCCCC)=O)O)C(OCCCCCCCCC=CCCCCCCCC)=O