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Fumaric acid, 2-chlorophenyl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-chlorophenyl 8-chlorooctyl ester
SpectraBase Compound ID D2wgY0F9p9y
InChI InChI=1S/C18H22Cl2O4/c19-13-7-3-1-2-4-8-14-23-17(21)11-12-18(22)24-16-10-6-5-9-15(16)20/h5-6,9-12H,1-4,7-8,13-14H2/b12-11+
InChIKey QEQCUGDOGMJSSX-VAWYXSNFSA-N
Mol Weight 373.28 g/mol
Molecular Formula C18H22Cl2O4
Exact Mass 372.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33uTTN38YF7
Name Fumaric acid, 2-chlorophenyl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.089514584 u
Formula C18H22Cl2O4
InChI InChI=1S/C18H22Cl2O4/c19-13-7-3-1-2-4-8-14-23-17(21)11-12-18(22)24-16-10-6-5-9-15(16)20/h5-6,9-12H,1-4,7-8,13-14H2/b12-11+
InChIKey QEQCUGDOGMJSSX-VAWYXSNFSA-N
Molecular Weight 373.276 g/mol
SMILES C(\C=C\C(OCCCCCCCCCl)=O)(OC1=C(C=CC=C1)Cl)=O