![N,N-BIS{2-[BIS(CARBOXYMETHYL)AMINO]ETHYL}GLYCINE, CALCIUMTRISODIUM SALT, HYDRATED](/api/spectrum/L5k2eq6lgNf/structure.png?h=300&w=458 "N,N-BIS{2-[BIS(CARBOXYMETHYL)AMINO]ETHYL}GLYCINE, CALCIUMTRISODIUM SALT, HYDRATED")
| SpectraBase Compound ID | DICz4EmR56I |
|---|---|
| InChI | InChI=1S/C14H23N3O10.Ca.3Na.H2O/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);;;;;1H2/q;+2;3*+1;/p-5 |
| InChIKey | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Mol Weight | 513.35570785 g/mol |
| Molecular Formula | C14H18CaN3Na3O11 |
| Exact Mass | 513.026032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | L5k2eq6lgNf |
|---|---|
| Name | Diethylenetriamine-pentaacetic acid calcium trisodium salt hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 359041 |
| CAS Registry Number | 207226-35-5 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18CaN3Na3O11 |
| InChI | 1S/C14H23N3O10.Ca.3Na.H2O/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);;;;;1H2/q;+2;3*+1;/p-5 |
| InChIKey | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | D2O |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Calcium-trisodium diethylenetriamine-pentaacetate hydrate |
| Wiley ID | SIAL_13CNMR_007403 |