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2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, o-chlorobenzoate
SpectraBase Compound ID 4qS8yhdaU5X
InChI InChI=1S/C17H16Cl2O4S2/c18-13-5-7-14(8-6-13)25(21,22)12-11-24-10-9-23-17(20)15-3-1-2-4-16(15)19/h1-8H,9-12H2
InChIKey VNRCUHJLXQVNSG-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 74ZUtz5n7tY
Name 2-{{2-[(p-CHLOROPHENYL)SULFONYL]ETHYL}THIO}ETHANOL, o-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/c18-13-5-7-14(8-6-13)25(21,22)12-11-24-10-9-23-17(20)15-3-1-2-4-16(15)19/h1-8H,9-12H2
InChIKey VNRCUHJLXQVNSG-UHFFFAOYSA-N
Melting Point 72-74C
Molecular Weight 419.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ETHANOL, 2-//2-//P-CHLOROPHENYL/SULFONYL/ETHYL/THIO/-, O-CHLOROBENZOATE