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4,4'-THIODI-o-CRESOL, DIBENZOATE

View entire compound with spectra: 1 NMR

4,4'-THIODI-o-CRESOL, DIBENZOATE
SpectraBase Compound ID ABmGTWgRX2w
InChI InChI=1S/C28H22O4S/c1-19-17-23(13-15-25(19)31-27(29)21-9-5-3-6-10-21)33-24-14-16-26(20(2)18-24)32-28(30)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKey FPDALUQHSNNWNL-UHFFFAOYSA-N
Mol Weight 454.54 g/mol
Molecular Formula C28H22O4S
Exact Mass 454.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bs2VMsfQFS5
Name 4,4'-THIODI-o-CRESOL, DIBENZOATE
Source of Sample Bio-Rad Laboratories, Inc.
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O4S
InChI InChI=1S/C28H22O4S/c1-19-17-23(13-15-25(19)31-27(29)21-9-5-3-6-10-21)33-24-14-16-26(20(2)18-24)32-28(30)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKey FPDALUQHSNNWNL-UHFFFAOYSA-N
Molecular Weight 454.55
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms O-CRESOL, 4,4'-THIODI-, DIBENZOATE