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Fumaric acid, 2,4,6-trichlorophenyl naphth-2-ylmethyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4,6-trichlorophenyl naphth-2-ylmethyl ester
SpectraBase Compound ID Lt6aKGg6qX
InChI InChI=1S/C21H13Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2/b8-7+
InChIKey XBXWHVZVHWETCP-BQYQJAHWSA-N
Mol Weight 435.69 g/mol
Molecular Formula C21H13Cl3O4
Exact Mass 433.987942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjW8jt54nqy
Name Fumaric acid, 2,4,6-trichlorophenyl naphth-2-ylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.987941995 u
Formula C21H13Cl3O4
InChI InChI=1S/C21H13Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2/b8-7+
InChIKey XBXWHVZVHWETCP-BQYQJAHWSA-N
Molecular Weight 435.690 g/mol
SMILES C(\C=C\C(OCC1=CC2=C(C=CC=C2)C=C1)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O