| SpectraBase Compound ID | Iclp0ynduOB |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-5-7-9-17-12(15)11(3)14(4)13(16)18-10-8-6-2/h11H,9-10H2,1-4H3 |
| InChIKey | TXGBWXRPNIOLEI-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 | Baerr6cex7U |
|---|---|
| Name | dl-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, but-2-yn-1-yl 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/c1-5-7-9-17-12(15)11(3)14(4)13(16)18-10-8-6-2/h11H,9-10H2,1-4H3 |
| InChIKey | TXGBWXRPNIOLEI-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | CC(N(C)C(=O)OCC#CC)C(=O)OCC#CC |