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Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester
SpectraBase Compound ID 2kDJd5xDfmH
InChI InChI=1S/C20H19ClO4/c1-3-18(15-7-5-4-6-8-15)25-20(23)12-11-19(22)24-16-9-10-17(21)14(2)13-16/h4-13,18H,3H2,1-2H3/b12-11+
InChIKey PRTMDHCBQWMJIA-VAWYXSNFSA-N
Mol Weight 358.82 g/mol
Molecular Formula C20H19ClO4
Exact Mass 358.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PRtx45VAXI
Name Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.097186788 u
Formula C20H19ClO4
InChI InChI=1S/C20H19ClO4/c1-3-18(15-7-5-4-6-8-15)25-20(23)12-11-19(22)24-16-9-10-17(21)14(2)13-16/h4-13,18H,3H2,1-2H3/b12-11+
InChIKey PRTMDHCBQWMJIA-VAWYXSNFSA-N
Molecular Weight 358.821 g/mol
SMILES C(\C=C\C(OC1=CC(C)=C(C=C1)Cl)=O)(OC(CC)C1=CC=CC=C1)=O