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2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, 3,5-dichlorobenzoate
SpectraBase Compound ID BgRRCWdopNw
InChI InChI=1S/C17H15Cl3O4S2/c18-13-1-3-16(4-2-13)26(22,23)8-7-25-6-5-24-17(21)12-9-14(19)11-15(20)10-12/h1-4,9-11H,5-8H2
InChIKey GRZHWGYIUZOAFY-UHFFFAOYSA-N
Mol Weight 453.78 g/mol
Molecular Formula C17H15Cl3O4S2
Exact Mass 451.947734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Zuqak08mcq
Name 2-{{2-[(p-CHLOROPHENYL)SULFONYL]ETHYL}THIO}ETHANOL, 3,5-DICHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15Cl3O4S2
InChI InChI=1S/C17H15Cl3O4S2/c18-13-1-3-16(4-2-13)26(22,23)8-7-25-6-5-24-17(21)12-9-14(19)11-15(20)10-12/h1-4,9-11H,5-8H2
InChIKey GRZHWGYIUZOAFY-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 104.5-105.5C
Molecular Weight 453.79
Solvent CDCl3; Reference=TMS; Temperature 297K