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[ZN(LASSBIO-466)H2O]2
SpectraBase Compound ID 32sCwZjSHKk
InChI InChI=1S/2C14H11ClN2O2.2H2O.2Zn/c2*15-12-7-3-2-6-11(12)14(19)17-16-9-10-5-1-4-8-13(10)18;;;;/h2*1-9H,(H2,16,17,18,19);2*1H2;;/q;;;;2*+1/p-2
InChIKey WRHRBSFKZBBVLQ-UHFFFAOYSA-L
Mol Weight 714.19 g/mol
Molecular Formula C28H24Cl2N4O6Zn2
Exact Mass 709.965574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrTKilDctJy
Name [ZN(LASSBIO-466)H2O]2
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24Cl2N4O6Zn2
InChI InChI=1S/2C14H11ClN2O2.2H2O.2Zn/c2*15-12-7-3-2-6-11(12)14(19)17-16-9-10-5-1-4-8-13(10)18;;;;/h2*1-9H,(H2,16,17,18,19);2*1H2;;/q;;;;2*+1/p-2
InChIKey WRHRBSFKZBBVLQ-UHFFFAOYSA-L
Literature Reference Author W.B.JUNIOR,M.S.ALEXANDRE-MOREIRA,M.A.ALVES,A.PEREZ-REBOLLEDO ,G.L.PARRILHA,E.E.CA
Literature Reference Citation MOLECULES,16,6902(2011)
Literature Reference DOI 10.3390/molecules16086902
Molecular Weight 714.188 g/mol
Sample ID 46
Solvent DMSO-D6