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PODAND-#2
SpectraBase Compound ID 4eYLZmX3zj6
InChI InChI=1S/C27H45N13O3/c1-37-16-22(34-19-37)4-7-28-25(41)31-10-13-40(14-11-32-26(42)29-8-5-23-17-38(2)20-35-23)15-12-33-27(43)30-9-6-24-18-39(3)21-36-24/h16-21H,4-15H2,1-3H3,(H2,28,31,41)(H2,29,32,42)(H2,30,33,43)
InChIKey IYNFUQRHAAWOEN-UHFFFAOYSA-N
Mol Weight 599.7 g/mol
Molecular Formula C27H45N13O3
Exact Mass 599.376832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjDUEaFYDNe
Name PODAND-#2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45N13O3
InChI InChI=1S/C27H45N13O3/c1-37-16-22(34-19-37)4-7-28-25(41)31-10-13-40(14-11-32-26(42)29-8-5-23-17-38(2)20-35-23)15-12-33-27(43)30-9-6-24-18-39(3)21-36-24/h16-21H,4-15H2,1-3H3,(H2,28,31,41)(H2,29,32,42)(H2,30,33,43)
InChIKey IYNFUQRHAAWOEN-UHFFFAOYSA-N
Literature Reference Author R.JAIRAM,P.G.POTVIN
Literature Reference Citation J.ORG.CHEM.,57,4136(1992)
Literature Reference DOI 10.1021/jo00041a016
Molecular Weight 599.740 g/mol
Solvent ZN(ClO4)20.01MIND2O
Source File Reference UWCS2365