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4,4'-Sulfonyldibenzoic acid, dibutyl ester
SpectraBase Compound ID Cb3Y9GQHYFg
InChI InChI=1S/C22H26O6S/c1-3-5-15-27-21(23)17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)22(24)28-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey DMHQQKCWHVVMKL-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H26O6S
Exact Mass 418.14501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15LQ0R1tyTg
Name 4,4'-SULFONYLDIBENZOIC ACID, DIBUTYL ESTER
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O6S
InChI InChI=1S/C22H26O6S/c1-3-5-15-27-21(23)17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)22(24)28-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey DMHQQKCWHVVMKL-UHFFFAOYSA-N
Melting Point 158-160C
Molecular Weight 418.51
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 4,4'-SULFONYLDI-, DIBUTYL ESTER