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Fumaric acid, 2-methylphenyl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methylphenyl 8-chlorooctyl ester
SpectraBase Compound ID KxEQKEKHvK2
InChI InChI=1S/C19H25ClO4/c1-16-10-6-7-11-17(16)24-19(22)13-12-18(21)23-15-9-5-3-2-4-8-14-20/h6-7,10-13H,2-5,8-9,14-15H2,1H3/b13-12+
InChIKey WYVTYMQROJTVCV-OUKQBFOZSA-N
Mol Weight 352.86 g/mol
Molecular Formula C19H25ClO4
Exact Mass 352.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zmJauGe4fR
Name Fumaric acid, 2-methylphenyl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.144136981 u
Formula C19H25ClO4
InChI InChI=1S/C19H25ClO4/c1-16-10-6-7-11-17(16)24-19(22)13-12-18(21)23-15-9-5-3-2-4-8-14-20/h6-7,10-13H,2-5,8-9,14-15H2,1H3/b13-12+
InChIKey WYVTYMQROJTVCV-OUKQBFOZSA-N
Molecular Weight 352.858 g/mol
SMILES C(\C=C\C(OCCCCCCCCCl)=O)(OC=1C(C)=CC=CC1)=O