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Pentakis(4-tolyl-sulfonyl)-3,6,9,12,15-pentaaza-heptadecane-1,17-diol

View entire compound with spectra: 1 NMR

Pentakis(4-tolyl-sulfonyl)-3,6,9,12,15-pentaaza-heptadecane-1,17-diol
SpectraBase Compound ID DndZ5zvanOL
InChI InChI=1S/C47H61N5O12S5/c1-38-6-16-43(17-7-38)65(55,56)48(26-28-49(66(57,58)44-18-8-39(2)9-19-44)30-32-51(34-36-53)68(61,62)46-22-12-41(4)13-23-46)27-29-50(67(59,60)45-20-10-40(3)11-21-45)31-33-52(35-37-54)69(63,64)47-24-14-42(5)15-25-47/h6-25,53-54H,26-37H2,1-5H3
InChIKey DIECQMGXMFHSRB-UHFFFAOYSA-N
Mol Weight 1048.3 g/mol
Molecular Formula C47H61N5O12S5
Exact Mass 1047.292028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jLe1O1ygwr
Name Pentakis(4-tolyl-sulfonyl)-3,6,9,12,15-pentaaza-heptadecane-1,17-diol
CAS Registry Number 107010-90-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H61N5O12S5
InChI InChI=1S/C47H61N5O12S5/c1-38-6-16-43(17-7-38)65(55,56)48(26-28-49(66(57,58)44-18-8-39(2)9-19-44)30-32-51(34-36-53)68(61,62)46-22-12-41(4)13-23-46)27-29-50(67(59,60)45-20-10-40(3)11-21-45)31-33-52(35-37-54)69(63,64)47-24-14-42(5)15-25-47/h6-25,53-54H,26-37H2,1-5H3
InChIKey DIECQMGXMFHSRB-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference M.W. Hosseini, J.M. Lehn, J. Am. Chem. Soc. 109, 7047 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3