| SpectraBase Compound ID | 3AQgnKXdXfZ |
|---|---|
| InChI | InChI=1S/C12H21NO4/c1-5-7-10(11(14)16-6-2)13-12(15)17-8-9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,15) |
| InChIKey | PGBCRDCSNMVUDF-UHFFFAOYSA-N |
| Mol Weight | 243.3 g/mol |
| Molecular Formula | C12H21NO4 |
| Exact Mass | 243.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BHR0Ynx35e |
|---|---|
| Name | L-Allylglycine, N-isobutoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.147058156 u |
| Formula | C12H21NO4 |
| InChI | InChI=1S/C12H21NO4/c1-5-7-10(11(14)16-6-2)13-12(15)17-8-9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,15) |
| InChIKey | PGBCRDCSNMVUDF-UHFFFAOYSA-N |
| Molecular Weight | 243.303 g/mol |
| SMILES | C(COC(=O)NC(CC=C)C(OCC)=O)(C)C |