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1,4-DIPICOLYL-8,11-BIS-(PARA-TOLYLSULFONAMIDOETHYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE

View entire compound with spectra: 1 NMR

1,4-DIPICOLYL-8,11-BIS-(PARA-TOLYLSULFONAMIDOETHYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE
SpectraBase Compound ID DNJTb96p3Sc
InChI InChI=1S/C38H52N8O4S2/c1-33-11-15-37(16-12-33)51(47,48)41-31-45-23-7-21-43(29-35-9-3-5-19-39-35)25-26-44(30-36-10-4-6-20-40-36)22-8-24-46(28-27-45)32-42-52(49,50)38-17-13-34(2)14-18-38/h3-6,9-20,41-42H,7-8,21-32H2,1-2H3
InChIKey IWSDGTXUGBBPLS-UHFFFAOYSA-N
Mol Weight 749.0 g/mol
Molecular Formula C38H52N8O4S2
Exact Mass 748.355295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRBt1HsauVB
Name 1,4-DIPICOLYL-8,11-BIS-(PARA-TOLYLSULFONAMIDOETHYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52N8O4S2
InChI InChI=1S/C38H52N8O4S2/c1-33-11-15-37(16-12-33)51(47,48)41-31-45-23-7-21-43(29-35-9-3-5-19-39-35)25-26-44(30-36-10-4-6-20-40-36)22-8-24-46(28-27-45)32-42-52(49,50)38-17-13-34(2)14-18-38/h3-6,9-20,41-42H,7-8,21-32H2,1-2H3
InChIKey IWSDGTXUGBBPLS-UHFFFAOYSA-N
Literature Reference Author F.BELLOUARD,F.CHUBURU,N.KERVAREC,L.TOUPET,S.TRIKI,Y.L.MEST,H .HANDEL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3499(1999)
Literature Reference DOI 10.1039/a905701c
Molecular Weight 749.002 g/mol
Solvent CDCl3