John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CeEIDoKZ3bl SpectraBase Spectrum ID=1kEpkzKybpO

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3,5-di-tert-butyldithio-4-hydroxybenzoic acid, benzyl ester
SpectraBase Compound ID CeEIDoKZ3bl
InChI InChI=1S/C22H28OS2/c1-21(2,3)17-12-16(13-18(19(17)23)22(4,5)6)20(24)25-14-15-10-8-7-9-11-15/h7-13,23H,14H2,1-6H3
InChIKey RDUUZZHMDRBHKO-UHFFFAOYSA-N
Mol Weight 372.59 g/mol
Molecular Formula C22H28OS2
Exact Mass 372.158159 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1kEpkzKybpO
Name 3,5-DI-tert-BUTYLDITHIO-4-HYDROXYBENZOIC ACID, BENZYL ESTER
Source of Sample U. Berg, University of Lund, Lund, Sweden
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28OS2
InChI InChI=1S/C22H28OS2/c1-21(2,3)17-12-16(13-18(19(17)23)22(4,5)6)20(24)25-14-15-10-8-7-9-11-15/h7-13,23H,14H2,1-6H3
InChIKey RDUUZZHMDRBHKO-UHFFFAOYSA-N
Melting Point 120-121.5C
Molecular Weight 372.60
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID HrbFbxwf4yw
Synonyms BENZOIC ACID, 3,5-DI-tert-BUTYLDITHIO-4-HYDROXY-, BENZYL ESTER