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2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, p-tert-butylbenzoate

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2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, p-tert-butylbenzoate
SpectraBase Compound ID 1tIjt6GKQbD
InChI InChI=1S/C21H25ClO4S2/c1-21(2,3)17-6-4-16(5-7-17)20(23)26-12-13-27-14-15-28(24,25)19-10-8-18(22)9-11-19/h4-11H,12-15H2,1-3H3
InChIKey FFHWBNDONDFXKS-UHFFFAOYSA-N
Mol Weight 441.0 g/mol
Molecular Formula C21H25ClO4S2
Exact Mass 440.088279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6W5bEEzkfBA
Name 2-{{2-[(p-CHLOROPHENYL)SULFONYL]ETHYL}THIO}ETHANOL, p-tert-BUTYLBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClO4S2
InChI InChI=1S/C21H25ClO4S2/c1-21(2,3)17-6-4-16(5-7-17)20(23)26-12-13-27-14-15-28(24,25)19-10-8-18(22)9-11-19/h4-11H,12-15H2,1-3H3
InChIKey FFHWBNDONDFXKS-UHFFFAOYSA-N
Melting Point 95-97C
Molecular Weight 441.01
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ETHANOL, 2-//2-//P-CHLOROPHENYL/SULFONYL/ETHYL/THIO/-, P-tert-BUTYLBENZOATE