![2-[Isobutyryl(methyl)amino]acetic acid](/api/spectrum/ChIwQRwIciB/structure.png?h=300&w=458 "2-[Isobutyryl(methyl)amino]acetic acid")
| SpectraBase Compound ID | CVdT8dXsD9w |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-5(2)7(11)8(3)4-6(9)10/h5H,4H2,1-3H3,(H,9,10) |
| InChIKey | OUZLKVNNBZFQRE-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChIwQRwIciB |
|---|---|
| Name | 2-[Isobutyryl(methyl)amino]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-5(2)7(11)8(3)4-6(9)10/h5H,4H2,1-3H3,(H,9,10) |
| InChIKey | OUZLKVNNBZFQRE-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(N(CC(=O)O)C)(=O)C(C)C |