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Fumaric acid, 2,3-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,3-dichlorophenyl dodecyl ester
SpectraBase Compound ID CkiBwMFLaZE
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-17-27-20(25)15-16-21(26)28-19-14-12-13-18(23)22(19)24/h12-16H,2-11,17H2,1H3/b16-15+
InChIKey FEHKLQAIAWHDOM-FOCLMDBBSA-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 ECG3Bq8yG7t
Name Fumaric acid, 2,3-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.152114842 u
Formula C22H30Cl2O4
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-17-27-20(25)15-16-21(26)28-19-14-12-13-18(23)22(19)24/h12-16H,2-11,17H2,1H3/b16-15+
InChIKey FEHKLQAIAWHDOM-FOCLMDBBSA-N
Molecular Weight 429.384 g/mol
SMILES C(\C=C\C(OC1=CC=CC(=C1Cl)Cl)=O)(OCCCCCCCCCCCC)=O