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Fumaric acid, hexadecyl 2,4,6-trichlorophenyl ester

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Fumaric acid, hexadecyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID AkwEEKjUEWm
InChI InChI=1S/C26H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-24(30)16-17-25(31)33-26-22(28)19-21(27)20-23(26)29/h16-17,19-20H,2-15,18H2,1H3/b17-16+
InChIKey OERIBWCXCWLROJ-WUKNDPDISA-N
Mol Weight 519.9 g/mol
Molecular Formula C26H37Cl3O4
Exact Mass 518.175743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyPnZMn7FkL
Name Fumaric acid, hexadecyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 518.175742767 u
Formula C26H37Cl3O4
InChI InChI=1S/C26H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-24(30)16-17-25(31)33-26-22(28)19-21(27)20-23(26)29/h16-17,19-20H,2-15,18H2,1H3/b17-16+
InChIKey OERIBWCXCWLROJ-WUKNDPDISA-N
Molecular Weight 519.937 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCC)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O