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GXBCMDXGPXASTE-UHFFFAOYSA-N

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GXBCMDXGPXASTE-UHFFFAOYSA-N
SpectraBase Compound ID BBbHkZtzQHw
InChI InChI=1S/C34H50N10.6ClH/c1-3-7-29(8-4-1)11-17-43-19-13-35-25-31-23-33(41-39-31)27-37-15-21-44(18-12-30-9-5-2-6-10-30)22-16-38-28-34-24-32(40-42-34)26-36-14-20-43;;;;;;/h1-10,23-24,35-38H,11-22,25-28H2,(H,39,41)(H,40,42);6*1H
InChIKey GXBCMDXGPXASTE-UHFFFAOYSA-N
Mol Weight 817.61 g/mol
Molecular Formula C34H56Cl6N10
Exact Mass 814.282058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FInnUyW2Lpu
Name GXBCMDXGPXASTE-UHFFFAOYSA-N
Compound Number 5.6HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H56Cl6N10
InChI InChI=1S/C34H50N10.6ClH/c1-3-7-29(8-4-1)11-17-43-19-13-35-25-31-23-33(41-39-31)27-37-15-21-44(18-12-30-9-5-2-6-10-30)22-16-38-28-34-24-32(40-42-34)26-36-14-20-43;;;;;;/h1-10,23-24,35-38H,11-22,25-28H2,(H,39,41)(H,40,42);6*1H
InChIKey GXBCMDXGPXASTE-UHFFFAOYSA-N
Literature Reference Author C.MIRANDA,F.ESCARTI,L.LAMARQUE,M.J.R.YUNTA,P.NAVARRO,E.GARCI A-ESPANA,M.L.JIMENO
Literature Reference Citation J.AM.CHEM.SOC.,126,823(2004)
Literature Reference DOI 10.1021/ja035671m
Molecular Weight 817.604 g/mol
Solvent D2O
Source File Reference UWLU36622