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Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester
SpectraBase Compound ID CLj6jm00o4E
InChI InChI=1S/C18H21Cl3O4/c19-11-5-3-1-2-4-6-12-24-17(22)9-10-18(23)25-16-8-7-14(20)13-15(16)21/h7-10,13H,1-6,11-12H2/b10-9+
InChIKey MDGVUJHZYAIXEG-MDZDMXLPSA-N
Mol Weight 407.72 g/mol
Molecular Formula C18H21Cl3O4
Exact Mass 406.050542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwbkNo7PU7o
Name Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.050542252 u
Formula C18H21Cl3O4
InChI InChI=1S/C18H21Cl3O4/c19-11-5-3-1-2-4-6-12-24-17(22)9-10-18(23)25-16-8-7-14(20)13-15(16)21/h7-10,13H,1-6,11-12H2/b10-9+
InChIKey MDGVUJHZYAIXEG-MDZDMXLPSA-N
Molecular Weight 407.721 g/mol
SMILES C(\C=C\C(OCCCCCCCCCl)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O