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13,26-DIBENZYL-6,19-DIOXA-3,9,12,13,16,22,25,26-OCTAAZATRICYCLO-[22.2.1.1(11,14)]-OCTACOSA-1(27),2,9,11,14(28),15,22,24-OCTAENE
SpectraBase Compound ID ZCAm5LBnWB
InChI InChI=1S/C32H36N8O2/c1-3-7-27(8-4-1)25-39-31-19-29(37-39)21-33-11-15-42-18-14-36-24-32-20-30(22-34-12-16-41-17-13-35-23-31)38-40(32)26-28-9-5-2-6-10-28/h1-10,19-24H,11-18,25-26H2/b33-21+,34-22+,35-23+,36-24+
InChIKey QGDDLUWVVLUROX-KZFAHMCXSA-N
Mol Weight 564.7 g/mol
Molecular Formula C32H36N8O2
Exact Mass 564.296122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzhMMqU4Kj8
Name 13,26-DIBENZYL-6,19-DIOXA-3,9,12,13,16,22,25,26-OCTAAZATRICYCLO-[22.2.1.1(11,14)]-OCTACOSA-1(27),2,9,11,14(28),15,22,24-OCTAENE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36N8O2
InChI InChI=1S/C32H36N8O2/c1-3-7-27(8-4-1)25-39-31-19-29(37-39)21-33-11-15-42-18-14-36-24-32-20-30(22-34-12-16-41-17-13-35-23-31)38-40(32)26-28-9-5-2-6-10-28/h1-10,19-24H,11-18,25-26H2/b33-21+,34-22+,35-23+,36-24+
InChIKey QGDDLUWVVLUROX-KZFAHMCXSA-N
Literature Reference Author V.J.ARAN,M.KUMAR,J.MOLINA,L.LAMARQUE,P.NAVARRO,E.GARCIA-ESPA NA,J.A.RAMIREZ,S.V.L
Literature Reference Citation J.ORG.CHEM.,64,6135(1999)
Literature Reference DOI 10.1021/jo981699i
Molecular Weight 564.690 g/mol
Sample ID 59253
Solvent CDCl3