| SpectraBase Compound ID | 3eX4I5SKEZd |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | ZRQXMKMBBMNNQC-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 | 2VBHHX6SXHO |
|---|---|
| Name | N-Isovaleroylglycine |
| 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)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | ZRQXMKMBBMNNQC-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(=O)(O)CNC(=O)CC(C)C |