| SpectraBase Compound ID | IqaU3Rr8e0N |
|---|---|
| InChI | InChI=1S/C13H23NO4/c1-4-6-7-8-10-18-12(15)11(9-5-2)14-13(16)17-3/h5,11H,2,4,6-10H2,1,3H3,(H,14,16) |
| InChIKey | IWKYHWUUHZELRS-UHFFFAOYSA-N |
| Mol Weight | 257.33 g/mol |
| Molecular Formula | C13H23NO4 |
| Exact Mass | 257.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLzOlAjmEvC |
|---|---|
| Name | L-Allylglycine, N-methoxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.162708221 u |
| Formula | C13H23NO4 |
| InChI | InChI=1S/C13H23NO4/c1-4-6-7-8-10-18-12(15)11(9-5-2)14-13(16)17-3/h5,11H,2,4,6-10H2,1,3H3,(H,14,16) |
| InChIKey | IWKYHWUUHZELRS-UHFFFAOYSA-N |
| Molecular Weight | 257.330 g/mol |
| SMILES | COC(NC(CC=C)C(OCCCCCC)=O)=O |