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2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenol, p-chlorobenzenesulfonate

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2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenol, p-chlorobenzenesulfonate
SpectraBase Compound ID 92HVpYj1Xfr
InChI InChI=1S/C16H14BrClO4S3/c1-21-14-9-10(16-23-6-7-24-16)8-13(17)15(14)22-25(19,20)12-4-2-11(18)3-5-12/h2-5,8-9,16H,6-7H2,1H3
InChIKey WHGXOYLERJXKHP-UHFFFAOYSA-N
Mol Weight 481.82 g/mol
Molecular Formula C16H14BrClO4S3
Exact Mass 479.892613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgxobXjrnGC
Name 2-BROMO-4-(1,3-DITHIOLAN-2-YL)-6-METHOXYPHENOL, p-CHLOROBENZENESULFONATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrClO4S3
InChI InChI=1S/C16H14BrClO4S3/c1-21-14-9-10(16-23-6-7-24-16)8-13(17)15(14)22-25(19,20)12-4-2-11(18)3-5-12/h2-5,8-9,16H,6-7H2,1H3
InChIKey WHGXOYLERJXKHP-UHFFFAOYSA-N
Melting Point 163-165C
Molecular Weight 481.84
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PHENOL, 2-BROMO-4-/1,3-DITHIOLAN- 2-YL/-6-METHOXY-, P-CHLOROBENZENESULFONATE