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#3.8HCL;1,4,7,8,11,14,17,20,21,21,29,32,33,36-TETRADECAAZAPENTACYLCLO-[12.12.1(6,9).1(19,22).1(31,34)]-HENTETRACONTA-6,9(41),19(40),21,31,34(39)-HEXAENE

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#3.8HCL;1,4,7,8,11,14,17,20,21,21,29,32,33,36-TETRADECAAZAPENTACYLCLO-[12.12.1(6,9).1(19,22).1(31,34)]-HENTETRACONTA-6,9(41),19(40),21,31,34(39)-HEXAENE
SpectraBase Compound ID GR58rW9uFM
InChI InChI=1S/C27H48N14.8ClH/c1-7-40-8-2-29-18-24-14-26(38-36-24)20-32-5-11-41(10-4-31-17-23-13-22(16-28-1)34-35-23)12-6-33-21-27-15-25(37-39-27)19-30-3-9-40;;;;;;;;/h13-15,28-33H,1-12,16-21H2,(H,34,35)(H,36,38)(H,37,39);8*1H
InChIKey HQUOSALZQBROEQ-UHFFFAOYSA-N
Mol Weight 860.47 g/mol
Molecular Formula C27H56Cl8N14
Exact Mass 856.232059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lsK6CEoDIJ
Name #3.8HCL;1,4,7,8,11,14,17,20,21,21,29,32,33,36-TETRADECAAZAPENTACYLCLO-[12.12.1(6,9).1(19,22).1(31,34)]-HENTETRACONTA-6,9(41),19(40),21,31,34(39)-HEXAENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H56Cl8N14
InChI InChI=1S/C27H48N14.8ClH/c1-7-40-8-2-29-18-24-14-26(38-36-24)20-32-5-11-41(10-4-31-17-23-13-22(16-28-1)34-35-23)12-6-33-21-27-15-25(37-39-27)19-30-3-9-40;;;;;;;;/h13-15,28-33H,1-12,16-21H2,(H,34,35)(H,36,38)(H,37,39);8*1H
InChIKey HQUOSALZQBROEQ-UHFFFAOYSA-N
Literature Reference Author L.LAMARQUE,P.NAVARRO,C.MIRANDA,V.J.ARAN,C.OCHOA,F.ESCARTI,E. GARCIA-ESPANA,J.LATO
Literature Reference Citation J.AM.CHEM.SOC.,123,10560(2001)
Literature Reference DOI 10.1021/ja010956p
Molecular Weight 860.459 g/mol
Solvent D2O
Source File Reference UWLU32677