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Bis(3-phenyl-1-oxopropenyl) tetrachlorocatechol ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Bis(3-phenyl-1-oxopropenyl) tetrachlorocatechol ester
SpectraBase Compound ID 6OfXF5O2XnB
InChI InChI=1S/C24H14Cl4O4/c25-19-20(26)22(28)24(32-18(30)14-12-16-9-5-2-6-10-16)23(21(19)27)31-17(29)13-11-15-7-3-1-4-8-15/h1-14H/b13-11+,14-12+
InChIKey BRGLVGUVGMMVJS-PHEQNACWSA-N
Mol Weight 508.2 g/mol
Molecular Formula C24H14Cl4O4
Exact Mass 505.96462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8md6TMhjnMf
Name bis(3-Phenyl-1-oxopropenyl) tetrachlorocatechol ester
Comments Computed using HOSE algorithm
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Exact Mass 505.964619727 u
Formula C24H14Cl4O4
InChI InChI=1S/C24H14Cl4O4/c25-19-20(26)22(28)24(32-18(30)14-12-16-9-5-2-6-10-16)23(21(19)27)31-17(29)13-11-15-7-3-1-4-8-15/h1-14H/b13-11+,14-12+
InChIKey BRGLVGUVGMMVJS-PHEQNACWSA-N
Molecular Weight 508.184 g/mol
SMILES C=1(C(=C(Cl)C(=C(C1Cl)Cl)Cl)OC(\C=C\C1=CC=CC=C1)=O)OC(\C=C\C=1C=CC=CC1)=O