| SpectraBase Compound ID | A1hkp86edPT |
|---|---|
| InChI | InChI=1S/C5H9NO4.C2HF3O2/c1-6(2-4(7)8)3-5(9)10;3-2(4,5)1(6)7/h2-3H2,1H3,(H,7,8)(H,9,10);(H,6,7) |
| InChIKey | MMSCRUQFXSABOB-UHFFFAOYSA-N |
| Mol Weight | 261.153 g/mol |
| Molecular Formula | C7H10F3NO6 |
| Exact Mass | 261.046022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHftq6LzbPA |
|---|---|
| Name | (Methylimino)diacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.046021529 u |
| Formula | C7H10F3NO6 |
| InChI | InChI=1S/C5H9NO4.C2HF3O2/c1-6(2-4(7)8)3-5(9)10;3-2(4,5)1(6)7/h2-3H2,1H3,(H,7,8)(H,9,10);(H,6,7) |
| InChIKey | MMSCRUQFXSABOB-UHFFFAOYSA-N |
| Molecular Weight | 261.153 g/mol |
| SMILES | C(F)(F)(F)C(O)=O.OC(CN(CC(O)=O)C)=O |