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Fumaric acid, cyclohex-3-enylmethyl undecyl ester

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Fumaric acid, cyclohex-3-enylmethyl undecyl ester
SpectraBase Compound ID LLFYpbGmXwL
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-13-18-25-21(23)16-17-22(24)26-19-20-14-11-10-12-15-20/h10-11,16-17,20H,2-9,12-15,18-19H2,1H3/b17-16+
InChIKey RPKCDRLWUZJREG-WUKNDPDISA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9kj7ZKNmbE
Name Fumaric acid, cyclohex-3-enylmethyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-13-18-25-21(23)16-17-22(24)26-19-20-14-11-10-12-15-20/h10-11,16-17,20H,2-9,12-15,18-19H2,1H3/b17-16+
InChIKey RPKCDRLWUZJREG-WUKNDPDISA-N
Molecular Weight 364.526 g/mol
SMILES C1=CCCC(C1)COC(\C=C\C(OCCCCCCCCCCC)=O)=O