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Diethylenetriamine pentaacetic acid

View entire compound with spectra: 10 NMR, 6 FTIR, 1 Raman, and 2 MS (GC)

Diethylenetriamine pentaacetic acid
SpectraBase Compound ID 5nSRZJYiEX0
InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKey QPCDCPDFJACHGM-UHFFFAOYSA-N
Mol Weight 393.35 g/mol
Molecular Formula C14H23N3O10
Exact Mass 393.138344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPHXGvHf7io
Name Diethylenetriaminepentaacetic acid
CAS Registry Number 67-43-6
Comments PH 7.10, SOLVENT H2O/D2O 4/1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H23N3O10
InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKey QPCDCPDFJACHGM-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference G. Anderegg, K. Popov, P.S. Pregosin, Magn. Res. Chem. 25, 84 (1987).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O