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Fumaric acid, 2-chlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-chlorophenyl undecyl ester
SpectraBase Compound ID Jr3Pg8g9fct
InChI InChI=1S/C21H29ClO4/c1-2-3-4-5-6-7-8-9-12-17-25-20(23)15-16-21(24)26-19-14-11-10-13-18(19)22/h10-11,13-16H,2-9,12,17H2,1H3/b16-15+
InChIKey XQUWVYJLSCVZOY-FOCLMDBBSA-N
Mol Weight 380.91 g/mol
Molecular Formula C21H29ClO4
Exact Mass 380.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5n6ZhFOsJex
Name Fumaric acid, 2-chlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.175437110 u
Formula C21H29ClO4
InChI InChI=1S/C21H29ClO4/c1-2-3-4-5-6-7-8-9-12-17-25-20(23)15-16-21(24)26-19-14-11-10-13-18(19)22/h10-11,13-16H,2-9,12,17H2,1H3/b16-15+
InChIKey XQUWVYJLSCVZOY-FOCLMDBBSA-N
Molecular Weight 380.912 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCCC)=O