| SpectraBase Compound ID | qPcaUXGB28 |
|---|---|
| InChI | InChI=1S/C11H21N3O3/c1-8(2)10(11(16)17-5)13-9(15)6-12-7-14(3)4/h7-8,10H,6H2,1-5H3,(H,13,15)/b12-7+ |
| InChIKey | BBWXAHALLOGTQX-KPKJPENVSA-N |
| Mol Weight | 243.31 g/mol |
| Molecular Formula | C11H21N3O3 |
| Exact Mass | 243.158292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18yjm3YIfcP |
|---|---|
| Name | Glycyl-L-valine, N-dimethylaminomethylene-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.158291545 u |
| Formula | C11H21N3O3 |
| InChI | InChI=1S/C11H21N3O3/c1-8(2)10(11(16)17-5)13-9(15)6-12-7-14(3)4/h7-8,10H,6H2,1-5H3,(H,13,15)/b12-7+ |
| InChIKey | BBWXAHALLOGTQX-KPKJPENVSA-N |
| Molecular Weight | 243.307 g/mol |
| SMILES | C(C(=O)OC)(NC(=O)C\N=C\N(C)C)C(C)C |