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2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenol, 4-chloro-2,5-xylenesulfonate

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2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenol, 4-chloro-2,5-xylenesulfonate
SpectraBase Compound ID HFpkEAlxm4o
InChI InChI=1S/C18H18BrClO4S3/c1-10-7-16(11(2)6-14(10)20)27(21,22)24-17-13(19)8-12(9-15(17)23-3)18-25-4-5-26-18/h6-9,18H,4-5H2,1-3H3
InChIKey ZDZVLTRXYMKZNY-UHFFFAOYSA-N
Mol Weight 509.88 g/mol
Molecular Formula C18H18BrClO4S3
Exact Mass 507.923913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JopowSAqt0y
Name 2-BROMO-4-(1,3-DITHIOLAN-2-YL)-6-METHOXYPHENOL, 4-CHLORO-2,5-XYLENESULFONATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrClO4S3
InChI InChI=1S/C18H18BrClO4S3/c1-10-7-16(11(2)6-14(10)20)27(21,22)24-17-13(19)8-12(9-15(17)23-3)18-25-4-5-26-18/h6-9,18H,4-5H2,1-3H3
InChIKey ZDZVLTRXYMKZNY-UHFFFAOYSA-N
Melting Point 155-157C
Molecular Weight 509.90
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PHENOL, 2-BROMO-4-/1,3-DITHIOLAN- 2-YL/-6-METHOXY-, 4-CHLORO-2,5-XYLENESULFONATE