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2-bromo-4-tert-butyl-6-chlorophenol, p-toluenesulfonate

View entire compound with spectra: 3 NMR, and 1 FTIR

2-bromo-4-tert-butyl-6-chlorophenol, p-toluenesulfonate
SpectraBase Compound ID IlX3sTCGQ6K
InChI InChI=1S/C17H18BrClO3S/c1-11-5-7-13(8-6-11)23(20,21)22-16-14(18)9-12(10-15(16)19)17(2,3)4/h5-10H,1-4H3
InChIKey AZGDZTTYPUKKCJ-UHFFFAOYSA-N
Mol Weight 417.75 g/mol
Molecular Formula C17H18BrClO3S
Exact Mass 415.984856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AsInGhd15c
Name 2-BROMO-4-tert-BUTYL-6-CHLOROPHENOL, p-TOLUENESULFONATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18BrClO3S
InChI InChI=1S/C17H18BrClO3S/c1-11-5-7-13(8-6-11)23(20,21)22-16-14(18)9-12(10-15(16)19)17(2,3)4/h5-10H,1-4H3
InChIKey AZGDZTTYPUKKCJ-UHFFFAOYSA-N
Melting Point 126-127C
Molecular Weight 417.76
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PHENOL, 2-BROMO-4-tert-BUTYL-6-CHLORO-, p-TOLUENESULFONATE