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2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, p-chlorobenzoate
SpectraBase Compound ID 2JDmUNJBwzA
InChI InChI=1S/C17H16Cl2O4S2/c18-14-3-1-13(2-4-14)17(20)23-9-10-24-11-12-25(21,22)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKey DFMTUNQHRQACNL-UHFFFAOYSA-N
Mol Weight 419.34 g/mol
Molecular Formula C17H16Cl2O4S2
Exact Mass 417.986707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4x4d0dKThGK
Name 2-{{2-[(p-CHLOROPHENYL)SULFONYL]ETHYL}THIO}ETHANOL, p-CHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16Cl2O4S2
InChI InChI=1S/C17H16Cl2O4S2/c18-14-3-1-13(2-4-14)17(20)23-9-10-24-11-12-25(21,22)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKey DFMTUNQHRQACNL-UHFFFAOYSA-N
Melting Point 82-84C
Molecular Weight 419.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ETHANOL, 2-{{2-[(p-CHLOROPHENYL)SULFONYL]ETHYL}THIO}-, p-CHLOROBENZOATE