| SpectraBase Compound ID | 13EsCWAdHRU |
|---|---|
| InChI | InChI=1S/C14H23N3O10.Gd.O/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);;/q;+3;/p-3 |
| InChIKey | LLFYEMJDDQAIJD-UHFFFAOYSA-K |
| Mol Weight | 563.58 g/mol |
| Molecular Formula | C14H20GdN3O11 |
| Exact Mass | 564.033895 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | F6fZg0cf2gM |
|---|---|
| Name | Diethylenetriaminepentaacetic acid gadolinium(III) dihydrogen salt hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 381667 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H20GdN3O10*xH2O |
| InChI | InChI=1S/C14H23N3O10.Gd.O/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);;/q;+3;/p-3 |
| InChIKey | LLFYEMJDDQAIJD-UHFFFAOYSA-K |
| Purity | 97% |
| Synonyms | Gadopentetic acid |
| Wiley ID | SIAL_ATR-IR_017842 |