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2,2'-methylenebis[3,4,6-trichlorophenol], diacetate
SpectraBase Compound ID Iy8N0fJ0V5E
InChI InChI=1S/C17H10Cl6O4/c1-6(24)26-16-8(14(22)10(18)4-12(16)20)3-9-15(23)11(19)5-13(21)17(9)27-7(2)25/h4-5H,3H2,1-2H3
InChIKey WAAFKFLTOKGWCN-UHFFFAOYSA-N
Mol Weight 491.0 g/mol
Molecular Formula C17H10Cl6O4
Exact Mass 487.871025 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cAydHhpYZQ
Name 2,2'-methylenebis[3,4,6-trichlorophenol], diacetate
Source of Sample S. C. Temin, Koppers Company, Inc., Pittsburgh, Pennsylvania
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Formula C17H10Cl6O4
InChI InChI=1S/C17H10Cl6O4/c1-6(24)26-16-8(14(22)10(18)4-12(16)20)3-9-15(23)11(19)5-13(21)17(9)27-7(2)25/h4-5H,3H2,1-2H3
InChIKey WAAFKFLTOKGWCN-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 3678M
Solvent CDCl3
Synonyms PHENOL, 2,2PR-METHYLENEBIS- /3,4,6-TRICHLORO-, DIACETATE