| SpectraBase Compound ID | KQ1FSL9qYru |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h2-4,10H,1,7-9H2,(H,13,15) |
| InChIKey | JSPBTCARLMDNMF-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KB7Ym78gzeB |
|---|---|
| Name | L-Allylglycine, N-propargyloxycarbonyl-, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h2-4,10H,1,7-9H2,(H,13,15) |
| InChIKey | JSPBTCARLMDNMF-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C(COC(NC(C(OCC#C)=O)CC=C)=O)#C |