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3-tert-butyl-4-hydroxy-5-(2,4,6-trichlorophenoxy)benzoic acid, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

3-tert-butyl-4-hydroxy-5-(2,4,6-trichlorophenoxy)benzoic acid, ethyl ester
SpectraBase Compound ID FhidfsNBb2e
InChI InChI=1S/C19H19Cl3O4/c1-5-25-18(24)10-6-12(19(2,3)4)16(23)15(7-10)26-17-13(21)8-11(20)9-14(17)22/h6-9,23H,5H2,1-4H3
InChIKey KBYBUOAQVDZMCB-UHFFFAOYSA-N
Mol Weight 417.72 g/mol
Molecular Formula C19H19Cl3O4
Exact Mass 416.034892 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBptuk0ow1A
Name 3-tert-butyl-4-hydroxy-5-(2,4,6-trichlorophenoxy)benzoic acid, ethyl ester
Source of Sample A. Rieker, University of Tuebingen, Tuebingen, Germany
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Formula C19H19Cl3O4
InChI InChI=1S/C19H19Cl3O4/c1-5-25-18(24)10-6-12(19(2,3)4)16(23)15(7-10)26-17-13(21)8-11(20)9-14(17)22/h6-9,23H,5H2,1-4H3
InChIKey KBYBUOAQVDZMCB-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 1076M
Solvent CDCl3
Synonyms BENZOIC ACID, 3-TERT-BUTYL-4- HYDROXY-5-/2,4,6-TRICHLOROPHENOXY/-, ETHYL ESTER