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1,5,9-TRIS-(p-TOLYLSULFONYL)-3-(2-METHOXYBENZYL)-1,5,9-TRIAZA-CYCLODECANE

View entire compound with spectra: 1 NMR

1,5,9-TRIS-(p-TOLYLSULFONYL)-3-(2-METHOXYBENZYL)-1,5,9-TRIAZA-CYCLODECANE
SpectraBase Compound ID BKskl9zQqG3
InChI InChI=1S/C38H47N3O7S3/c1-30-11-17-35(18-12-30)49(42,43)39-23-7-25-40(50(44,45)36-19-13-31(2)14-20-36)28-33(27-34-9-5-6-10-38(34)48-4)29-41(26-8-24-39)51(46,47)37-21-15-32(3)16-22-37/h5-6,9-22,33H,7-8,23-29H2,1-4H3
InChIKey LZFHWBSECJHDKG-UHFFFAOYSA-N
Mol Weight 754.0 g/mol
Molecular Formula C38H47N3O7S3
Exact Mass 753.257614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7B6a5FndtIe
Name 1,5,9-TRIS-(p-TOLYLSULFONYL)-3-(2-METHOXYBENZYL)-1,5,9-TRIAZA-CYCLODECANE
Compound Number 14
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C38H47N3O7S3/c1-30-11-17-35(18-12-30)49(42,43)39-23-7-25-40(50(44,45)36-19-13-31(2)14-20-36)28-33(27-34-9-5-6-10-38(34)48-4)29-41(26-8-24-39)51(46,47)37-21-15-32(3)16-22-37/h5-6,9-22,33H,7-8,23-29H2,1-4H3
InChIKey LZFHWBSECJHDKG-UHFFFAOYSA-N
Literature Reference G.B.BATES,D.PARKER J.CHEM.SOC.PERKIN-2,1109(1996)
Solvent Chloroform-d