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1,5,10,15,19,24,29,30,31,32-DECAAZA-(10,24-DI-(PYRIDIN-2-YLETHYL)-6,14,20,28-TETRAMETHYL)-PENTACYClO-[24.2.1.1^5,8.1^12,15.1^19,22]-TRIACONTANE-6,8(30),12(31),
SpectraBase Compound ID 2ABAQmoywrl
InChI InChI=1S/C40H52N12/c1-31-23-37-27-47(21-13-35-11-5-7-15-41-35)28-38-25-33(3)51(45-38)19-10-20-52-34(4)26-40(46-52)30-48(22-14-36-12-6-8-16-42-36)29-39-24-32(2)50(44-39)18-9-17-49(31)43-37/h5-8,11-12,15-16,23-26H,9-10,13-14,17-22,27-30H2,1-4H3
InChIKey KAPWHAMMBZXIJV-UHFFFAOYSA-N
Mol Weight 700.9 g/mol
Molecular Formula C40H52N12
Exact Mass 700.44379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9q7kY9Pi6r3
Name 1,5,10,15,19,24,29,30,31,32-DECAAZA-(10,24-DI-(PYRIDIN-2-YLETHYL)-6,14,20,28-TETRAMETHYL)-PENTACYClO-[24.2.1.1^5,8.1^12,15.1^19,22]-TRIACONTANE-6,8(30),12(31),
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52N12
InChI InChI=1S/C40H52N12/c1-31-23-37-27-47(21-13-35-11-5-7-15-41-35)28-38-25-33(3)51(45-38)19-10-20-52-34(4)26-40(46-52)30-48(22-14-36-12-6-8-16-42-36)29-39-24-32(2)50(44-39)18-9-17-49(31)43-37/h5-8,11-12,15-16,23-26H,9-10,13-14,17-22,27-30H2,1-4H3
InChIKey KAPWHAMMBZXIJV-UHFFFAOYSA-N
Literature Reference Author J.E.BOL,B.MAASE,G.GONESH,W.L.DRIESSEN,K.GOUBITZ,J.REEDIJK
Literature Reference Citation HETEROCYCLES,45,1477(1997)
Literature Reference DOI 10.3987/COM-97-7772
Molecular Weight 700.933 g/mol
Solvent CD3CN:CD3OD=4:1
Source File Reference UWCP5052