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Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester
SpectraBase Compound ID GoHZGGLGEyr
InChI InChI=1S/C19H17ClO4/c20-16-9-4-10-17(14-16)24-19(22)12-11-18(21)23-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13H2/b12-11+
InChIKey XQPMESFBMBVCSK-VAWYXSNFSA-N
Mol Weight 344.79 g/mol
Molecular Formula C19H17ClO4
Exact Mass 344.081537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dns6DhAOBBd
Name Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.081536723 u
Formula C19H17ClO4
InChI InChI=1S/C19H17ClO4/c20-16-9-4-10-17(14-16)24-19(22)12-11-18(21)23-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13H2/b12-11+
InChIKey XQPMESFBMBVCSK-VAWYXSNFSA-N
Molecular Weight 344.794 g/mol
SMILES C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OCCCC1=CC=CC=C1)=O