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(2S*,3R*)-N,N'-Dibenzyl-2,3-ditosyl-1,4-butanediamine

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(2S*,3R*)-N,N'-Dibenzyl-2,3-ditosyl-1,4-butanediamine
SpectraBase Compound ID HUHMie3YBfT
InChI InChI=1S/C32H36N2O4S2/c1-25-13-17-29(18-14-25)39(35,36)31(23-33-21-27-9-5-3-6-10-27)32(24-34-22-28-11-7-4-8-12-28)40(37,38)30-19-15-26(2)16-20-30/h3-20,31-34H,21-24H2,1-2H3/t31-,32+
InChIKey WUCAJRPENZAPIZ-MEKGRNQZSA-N
Mol Weight 576.8 g/mol
Molecular Formula C32H36N2O4S2
Exact Mass 576.21165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz7S9UIjwk1
Name (2S*,3R*)-N,N'-Dibenzyl-2,3-ditosyl-1,4-butanediamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.211649991 u
Formula C32H36N2O4S2
InChI InChI=1S/C32H36N2O4S2/c1-25-13-17-29(18-14-25)39(35,36)31(23-33-21-27-9-5-3-6-10-27)32(24-34-22-28-11-7-4-8-12-28)40(37,38)30-19-15-26(2)16-20-30/h3-20,31-34H,21-24H2,1-2H3/t31-,32+
InChIKey WUCAJRPENZAPIZ-MEKGRNQZSA-N
Molecular Weight 576.770 g/mol
SMILES [C@@](S(C1=CC=C(C=C1)C)(=O)=O)([C@@](S(C1=CC=C(C=C1)C)(=O)=O)(CNCC1=CC=CC=C1)[H])(CNCC1=CC=CC=C1)[H]