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3,9,17,23-TETRATOSYL-3,9,17,23,29,30-HEXAAZA-6,20-DIOXA-TRICYCLO-[23.1.1.1(11,15)]-TRIACONTA-1(29,11(30),12,14,25,27-HEXAENE
SpectraBase Compound ID IEDnxpVhcr
InChI InChI=1S/C50H58N6O10S4/c1-39-11-19-47(20-12-39)67(57,58)53-27-31-65-32-28-54(68(59,60)48-21-13-40(2)14-22-48)37-45-9-6-10-46(52-45)38-56(70(63,64)50-25-17-42(4)18-26-50)30-34-66-33-29-55(36-44-8-5-7-43(35-53)51-44)69(61,62)49-23-15-41(3)16-24-49/h5-26H,27-38H2,1-4H3
InChIKey RLIYBJSUAACILO-UHFFFAOYSA-N
Mol Weight 1031.3 g/mol
Molecular Formula C50H58N6O10S4
Exact Mass 1030.309727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bcZf4734Gg
Name 3,9,17,23-TETRATOSYL-3,9,17,23,29,30-HEXAAZA-6,20-DIOXA-TRICYCLO-[23.1.1.1(11,15)]-TRIACONTA-1(29,11(30),12,14,25,27-HEXAENE
Compound Number 16
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H58N6O10S4
InChI InChI=1S/C50H58N6O10S4/c1-39-11-19-47(20-12-39)67(57,58)53-27-31-65-32-28-54(68(59,60)48-21-13-40(2)14-22-48)37-45-9-6-10-46(52-45)38-56(70(63,64)50-25-17-42(4)18-26-50)30-34-66-33-29-55(36-44-8-5-7-43(35-53)51-44)69(61,62)49-23-15-41(3)16-24-49/h5-26H,27-38H2,1-4H3
InChIKey RLIYBJSUAACILO-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 1031.285 g/mol
Solvent CDCl3
Source File Reference UWCS12575