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1,9-BIS-[6-[(MESYLOXY-METHYL]-PYRIDIN-2-YL)-METHYL]-2,5,8-TRITOSYL-2,5,8-TRIAZANONANE
SpectraBase Compound ID 6N49CNUYilV
InChI InChI=1S/C41H49N5O12S5/c1-32-12-18-39(19-13-32)61(51,52)44(24-26-45(62(53,54)40-20-14-33(2)15-21-40)28-35-8-6-10-37(42-35)30-57-59(4,47)48)25-27-46(63(55,56)41-22-16-34(3)17-23-41)29-36-9-7-11-38(43-36)31-58-60(5,49)50/h6-23H,24-31H2,1-5H3
InChIKey VFOQQHVWXMBYQL-UHFFFAOYSA-N
Mol Weight 964.2 g/mol
Molecular Formula C41H49N5O12S5
Exact Mass 963.198128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5r2vWBcuwJB
Name 1,9-BIS-[6-[(MESYLOXY-METHYL]-PYRIDIN-2-YL)-METHYL]-2,5,8-TRITOSYL-2,5,8-TRIAZANONANE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H49N5O12S5
InChI InChI=1S/C41H49N5O12S5/c1-32-12-18-39(19-13-32)61(51,52)44(24-26-45(62(53,54)40-20-14-33(2)15-21-40)28-35-8-6-10-37(42-35)30-57-59(4,47)48)25-27-46(63(55,56)41-22-16-34(3)17-23-41)29-36-9-7-11-38(43-36)31-58-60(5,49)50/h6-23H,24-31H2,1-5H3
InChIKey VFOQQHVWXMBYQL-UHFFFAOYSA-N
Literature Reference Author M.W.HOSSEINI,J.COMARMOND,J.M.LEHN
Literature Reference Citation HELV.CHIM.ACTA,72,1066(1989)
Literature Reference DOI 10.1002/hlca.19890720525
Molecular Weight 964.166 g/mol
Solvent CDCl3
Source File Reference UWCS12578