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Benzene-1,3-disulfonic acid bis-benzylamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Benzene-1,3-disulfonic acid bis-benzylamide
SpectraBase Compound ID LIDyut12iML
InChI InChI=1S/C20H20N2O4S2/c23-27(24,21-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)28(25,26)22-16-18-10-5-2-6-11-18/h1-14,21-22H,15-16H2
InChIKey HLSAADYNJCVPJA-UHFFFAOYSA-N
Mol Weight 416.51 g/mol
Molecular Formula C20H20N2O4S2
Exact Mass 416.086449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31OrRQcuaAf
Name Benzene-1,3-disulfonic acid bis-benzylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.086449476 u
Formula C20H20N2O4S2
InChI InChI=1S/C20H20N2O4S2/c23-27(24,21-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)28(25,26)22-16-18-10-5-2-6-11-18/h1-14,21-22H,15-16H2
InChIKey HLSAADYNJCVPJA-UHFFFAOYSA-N
Molecular Weight 416.510 g/mol
SMILES C1=CC=C(CNS(C=2C=C(S(NCC=3C=CC=CC3)(=O)=O)C=CC2)(=O)=O)C=C1