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HEPTAKIS-(2,3,6-TRI-O-CARBOXYMETHYL)-BETA-CYCLODEXTRIN
SpectraBase Compound ID 9VoKTFtUJlt
InChI InChI=1S/C12H18O12/c13-6(14)2-21-1-5-9(19)10(22-3-7(15)16)11(12(20)24-5)23-4-8(17)18/h5,9-12,19-20H,1-4H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey KSUIDPLMMMYQKI-UHFFFAOYSA-N
Mol Weight 354.26 g/mol
Molecular Formula C12H18O12
Exact Mass 354.079826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoAJ7PGA20D
Name HEPTAKIS-(2,3,6-TRI-O-CARBOXYMETHYL)-BETA-CYCLODEXTRIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O12
InChI InChI=1S/C12H18O12/c13-6(14)2-21-1-5-9(19)10(22-3-7(15)16)11(12(20)24-5)23-4-8(17)18/h5,9-12,19-20H,1-4H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey KSUIDPLMMMYQKI-UHFFFAOYSA-N
Literature Reference Author T.KRAUS,M.BUDESINSKY,J.ZAVADA
Literature Reference Citation J.ORG.CHEM.,66,4595(2001)
Literature Reference DOI 10.1021/jo010046q
Molecular Weight 354.268 g/mol
Solvent DMSO-D6
Source File Reference UWMS28038