For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC-ACID;DO3A

View entire compound with spectra: 3 NMR

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC-ACID;DO3A
SpectraBase Compound ID LLBb3ebv44A
InChI InChI=1S/C14H26N4O6/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)
InChIKey HHLZCENAOIROSL-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C14H26N4O6
Exact Mass 346.185235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1RIi2MTzOZe
Name 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC-ACID;DO3A,([IN3+]/[DOTA]=1:2)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H26N4O6
InChI InChI=1S/C14H26N4O6/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)
InChIKey HHLZCENAOIROSL-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 346.384 g/mol
Solvent D2O;PH=4.0
Source File Reference UWVP4292