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Fumaric acid, 1-phenylprop-1-yl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 1-phenylprop-1-yl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID LQlu6bkvamv
InChI InChI=1S/C19H15Cl3O4/c1-2-16(12-6-4-3-5-7-12)25-17(23)8-9-18(24)26-19-14(21)10-13(20)11-15(19)22/h3-11,16H,2H2,1H3/b9-8+
InChIKey YLMWLFUPPNSIHN-CMDGGOBGSA-N
Mol Weight 413.68 g/mol
Molecular Formula C19H15Cl3O4
Exact Mass 412.003592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzYSHrJAA3V
Name Fumaric acid, 1-phenylprop-1-yl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.003592059 u
Formula C19H15Cl3O4
InChI InChI=1S/C19H15Cl3O4/c1-2-16(12-6-4-3-5-7-12)25-17(23)8-9-18(24)26-19-14(21)10-13(20)11-15(19)22/h3-11,16H,2H2,1H3/b9-8+
InChIKey YLMWLFUPPNSIHN-CMDGGOBGSA-N
Molecular Weight 413.684 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC(CC)C1=CC=CC=C1)=O