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[IN(DO3A)],[IN3]/[DOTA]=1:1

View entire compound with spectra: 3 NMR

[IN(DO3A)],[IN3]/[DOTA]=1:1
SpectraBase Compound ID JUUPudXPIij
InChI InChI=1S/C14H26N4O6.In/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);/q;+3
InChIKey CMYNOMWXFNHBTM-UHFFFAOYSA-N
Mol Weight 461.2 g/mol
Molecular Formula C14H26InN4O6
Exact Mass 461.089113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Y1wFGCJgRn
Name [IN(DO3A)],[IN3+]/[DOTA]=1:1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H26InN4O6
InChI InChI=1S/C14H26N4O6.In/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);/q;+3
InChIKey CMYNOMWXFNHBTM-UHFFFAOYSA-N
Literature Reference Author H.Z.CAI,T.A.KADEN
Literature Reference Citation HELV.CHIM.ACTA,77,383(1994)
Literature Reference DOI 10.1002/hlca.19940770136
Molecular Weight 461.204 g/mol
Solvent D2O;PH=1.7
Source File Reference UWVP4289