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Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester
SpectraBase Compound ID 5YmlyYifLfR
InChI InChI=1S/C22H28Cl2O4/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/h10-15,17H,2-9,16H2,1H3/b11-10+,15-14+
InChIKey UFMNQBOLHZPDDZ-RICRECKTSA-N
Mol Weight 427.37 g/mol
Molecular Formula C22H28Cl2O4
Exact Mass 426.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgVaCxlABl0
Name Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.136464778 u
Formula C22H28Cl2O4
InChI InChI=1S/C22H28Cl2O4/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/h10-15,17H,2-9,16H2,1H3/b11-10+,15-14+
InChIKey UFMNQBOLHZPDDZ-RICRECKTSA-N
Molecular Weight 427.368 g/mol
SMILES C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O