For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(4-Benzamido-butyl)-1,4,7-tris(toluene-P-sulfonyl)-1,4,7-triaza-cyclononane

View entire compound with spectra: 1 NMR

2-(4-Benzamido-butyl)-1,4,7-tris(toluene-P-sulfonyl)-1,4,7-triaza-cyclononane
SpectraBase Compound ID HCTqhrW3Uuy
InChI InChI=1S/C38H46N4O7S3/c1-30-12-18-35(19-13-30)50(44,45)40-25-26-41(51(46,47)36-20-14-31(2)15-21-36)29-34(11-7-8-24-39-38(43)33-9-5-4-6-10-33)42(28-27-40)52(48,49)37-22-16-32(3)17-23-37/h4-6,9-10,12-23,34H,7-8,11,24-29H2,1-3H3,(H,39,43)
InChIKey SKYPKEMRIBALOS-UHFFFAOYSA-N
Mol Weight 767.0 g/mol
Molecular Formula C38H46N4O7S3
Exact Mass 766.252863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EP0hPcqtAFH
Name 2-(4-Benzamido-butyl)-1,4,7-tris(toluene-P-sulfonyl)-1,4,7-triaza-cyclononane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H46N4O7S3
InChI InChI=1S/C38H46N4O7S3/c1-30-12-18-35(19-13-30)50(44,45)40-25-26-41(51(46,47)36-20-14-31(2)15-21-36)29-34(11-7-8-24-39-38(43)33-9-5-4-6-10-33)42(28-27-40)52(48,49)37-22-16-32(3)17-23-37/h4-6,9-10,12-23,34H,7-8,11,24-29H2,1-3H3,(H,39,43)
InChIKey SKYPKEMRIBALOS-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference J.P. Cox, A.S. Craig, I.M.Helps, J. Chem. Soc. Perkin I 2567 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3