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Fumaric acid, 2,4-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4-dichlorophenyl dodecyl ester
SpectraBase Compound ID 6Zqc8AlMwHA
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-21(25)14-15-22(26)28-20-13-12-18(23)17-19(20)24/h12-15,17H,2-11,16H2,1H3/b15-14+
InChIKey CDOOQYAKRLSPPD-CCEZHUSRSA-N
Mol Weight 429.38 g/mol
Molecular Formula C22H30Cl2O4
Exact Mass 428.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8d1wv8uVqk
Name Fumaric acid, 2,4-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.152114842 u
Formula C22H30Cl2O4
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-21(25)14-15-22(26)28-20-13-12-18(23)17-19(20)24/h12-15,17H,2-11,16H2,1H3/b15-14+
InChIKey CDOOQYAKRLSPPD-CCEZHUSRSA-N
Molecular Weight 429.384 g/mol
SMILES C1(=CC=C(C=C1Cl)Cl)OC(\C=C\C(OCCCCCCCCCCCC)=O)=O