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Fumaric acid, 2,5-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,5-dichlorophenyl dodecyl ester
SpectraBase Compound ID GPm7UwlJMNL
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-21(25)14-15-22(26)28-20-17-18(23)12-13-19(20)24/h12-15,17H,2-11,16H2,1H3/b15-14+
InChIKey GXSWYSOARSUJTG-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 Ed6L4JBYV0F
Name Fumaric acid, 2,5-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
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)28-20-17-18(23)12-13-19(20)24/h12-15,17H,2-11,16H2,1H3/b15-14+
InChIKey GXSWYSOARSUJTG-CCEZHUSRSA-N
Molecular Weight 429.384 g/mol
SMILES CCCCCCCCCCCCOC(\C=C\C(OC1=CC(=CC=C1Cl)Cl)=O)=O