| Compound | DO3A-ABB-α (Neutral) | DO3A-ABB-α (Acidic) | DO3A-ABB-α (Basic) | DO3A-UO2 (VI) ABB-α (Neutral) | DO3A-UO2 (VI) ABB-α (Acidic) | DO3A-UO2 (VI) ABB-α (Basic) |
| BO-H | 3799 | 3712 | 3782 | 3541 | 3533 | 3539 |
| C13-OH | 3476 | 3450 | - | 3441 | 3452 | - |
| Aromatic C-H | 3236 | 3235 | 3232 | 3267 | 3265 | 3252 |
| N6-H | 3491 | 3366 | 3489 | 3495 | 3282 | 3501 |
| C10-H | 3160 | 3167 | 3194 | 3188 | 3184 | 3151 |
| C13-O | 1786 | 1799 | 1587 | 1742 | 1746 | 1587 |
| C14-O | 1755 | 1959 | 1756 | 1712 | 1871 | 1751 |
| Aromatic C-C | 1686 | 1697 | 1690 | 1689 | 1679 | 1688 |
| C14-N6 | 1589 | 1591 | 1584 | 1590 | 1506 | 1572 |
| U-O | - | - | - | 867 | 880 | 824 |
| U-N | - | - | - | 724 | 740 | 767 |
| B-C | 1405 | 1412 | 1382 | 1382 | 1379 | 1385 |
| N8-H | 3613 | 3583 | 3533 | 3533 | 3476 | 3530 |