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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),11,14(28),24-TETRAENE
SpectraBase Compound ID 8qm49qsaLCt
InChI InChI=1S/C32H44N8O2/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/h1-10,19-20,33-36H,11-18,21-26H2
InChIKey VDBPSVXOWRODKQ-UHFFFAOYSA-N
Mol Weight 572.8 g/mol
Molecular Formula C32H44N8O2
Exact Mass 572.358723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgOwHhRxQRn
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),11,14(28),24-TETRAENE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44N8O2
InChI InChI=1S/C32H44N8O2/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/h1-10,19-20,33-36H,11-18,21-26H2
InChIKey VDBPSVXOWRODKQ-UHFFFAOYSA-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 572.754 g/mol
Sample ID 59264
Solvent D2O;PH=2.5