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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7rObz0p61gp
Name Diethylenetriaminepentaacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 285560
CAS Registry Number 67-43-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 98%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (Carboxymethylimino)bis(ethylenenitrilo)tetraacetic acid,N,N-Bis(2-[bis(carboxymethyl)amino]ethyl)glycine,DETAPAC, DTPA, Penta(carboxymethyl)diethylenetriamine,Pentetic acid
Wiley ID SIAL_13CNMR_005378