| SpectraBase Compound ID | 33RjVkbyKE |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-4-7-8-11(12(15)17-9-5-2)14-13(16)18-10-6-3/h2-3,11H,4,7-10H2,1H3,(H,14,16) |
| InChIKey | DXVQIOFWRQZIOE-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hALf0ymTLo |
|---|---|
| Name | L-Norleucine, N-propargyloxycarbonyl-, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-4-7-8-11(12(15)17-9-5-2)14-13(16)18-10-6-3/h2-3,11H,4,7-10H2,1H3,(H,14,16) |
| InChIKey | DXVQIOFWRQZIOE-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C#CCOC(C(NC(OCC#C)=O)CCCC)=O |