| SpectraBase Compound ID | FhrQR11owM4 |
|---|---|
| InChI | InChI=1S/C17H29NO4/c1-6-8-10-12-21-16(19)15(13-14(3)4)18(5)17(20)22-11-9-7-2/h2,14-15H,6,8-13H2,1,3-5H3/t15-/m0/s1 |
| InChIKey | RSEBXXQYWPFRKH-HNNXBMFYSA-N |
| Mol Weight | 311.42 g/mol |
| Molecular Formula | C17H29NO4 |
| Exact Mass | 311.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4Kk8wtVcfD |
|---|---|
| Name | L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.209658414 u |
| Formula | C17H29NO4 |
| InChI | InChI=1S/C17H29NO4/c1-6-8-10-12-21-16(19)15(13-14(3)4)18(5)17(20)22-11-9-7-2/h2,14-15H,6,8-13H2,1,3-5H3/t15-/m0/s1 |
| InChIKey | RSEBXXQYWPFRKH-HNNXBMFYSA-N |
| SMILES | C(C)(C)C[C@](N(C)C(=O)OCCC#C)(C(OCCCCC)=O)[H] |