| SpectraBase Compound ID | GhLD4rk3j3p |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-5-7-9-17-12(15)11(3)14(4)13(16)18-10-8-6-2/h2,11H,5,7-10H2,1,3-4H3 |
| InChIKey | OFZZXCRJBHLTOD-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C13H21NO4 |
| Exact Mass | 255.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7XXu2okoZe |
|---|---|
| Name | dl-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.147058156 u |
| Formula | C13H21NO4 |
| InChI | InChI=1S/C13H21NO4/c1-5-7-9-17-12(15)11(3)14(4)13(16)18-10-8-6-2/h2,11H,5,7-10H2,1,3-4H3 |
| InChIKey | OFZZXCRJBHLTOD-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | CC(N(C)C(=O)OCCC#C)C(=O)OCCCC |