| SpectraBase Compound ID | FmsxGNLUIul |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-3-5-6-7-11-17-12(15)8-9-14-13(16)18-10-4-2/h2H,3,5-11H2,1H3,(H,14,16) |
| InChIKey | AXHDXAOEYFSKSH-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 | ISM29d6LnDt |
|---|---|
| Name | .beta.-Alanine, N-propargyloxycarbonyl-, hexyl 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/c1-3-5-6-7-11-17-12(15)8-9-14-13(16)18-10-4-2/h2H,3,5-11H2,1H3,(H,14,16) |
| InChIKey | AXHDXAOEYFSKSH-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | C#CCOC(NCCC(OCCCCCC)=O)=O |