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11,17-Bis(methanesulfonyloxy)-3,6,9,12,15-pentakis(4-tolyl-sulfonyl)-3,6,9,12,15-pentaaza-heptadecane

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11,17-Bis(methanesulfonyloxy)-3,6,9,12,15-pentakis(4-tolyl-sulfonyl)-3,6,9,12,15-pentaaza-heptadecane
SpectraBase Compound ID 3kL1AAyqwoL
InChI InChI=1S/C49H65N5O16S7/c1-40-8-18-45(19-9-40)73(59,60)50(28-30-51(74(61,62)46-20-10-41(2)11-21-46)32-34-53(36-38-69-71(6,55)56)76(65,66)48-24-14-43(4)15-25-48)29-31-52(75(63,64)47-22-12-42(3)13-23-47)33-35-54(37-39-70-72(7,57)58)77(67,68)49-26-16-44(5)17-27-49/h8-27H,28-39H2,1-7H3
InChIKey KBWXYFNCPWXRDU-UHFFFAOYSA-N
Mol Weight 1204.5 g/mol
Molecular Formula C49H65N5O16S7
Exact Mass 1203.247129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33P43MvArL1
Name 11,17-Bis(methanesulfonyloxy)-3,6,9,12,15-pentakis(4-tolyl-sulfonyl)-3,6,9,12,15-pentaaza-heptadecane
CAS Registry Number 107035-78-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C49H65N5O16S7
InChI InChI=1S/C49H65N5O16S7/c1-40-8-18-45(19-9-40)73(59,60)50(28-30-51(74(61,62)46-20-10-41(2)11-21-46)32-34-53(36-38-69-71(6,55)56)76(65,66)48-24-14-43(4)15-25-48)29-31-52(75(63,64)47-22-12-42(3)13-23-47)33-35-54(37-39-70-72(7,57)58)77(67,68)49-26-16-44(5)17-27-49/h8-27H,28-39H2,1-7H3
InChIKey KBWXYFNCPWXRDU-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