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4,4'-Sulfonyldibenzoic acid, dibutyl ester

View entire compound with spectra: 3 NMR, 1 UV-Vis, and 1 MS (GC)

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 6kUj1RbIaMK
Name 4,4'-Sulfonyldibenzoic acid, dibutyl ester
CAS Registry Number 3971-35-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3