| SpectraBase Compound ID | I4r7ExvPw45 |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-5-6-7-8-18-12(15)11(9-10(2)3)14-13(16)17-4/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | NHDZGHOBTJJABY-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BD0Nlu1XHqQ |
|---|---|
| Name | L-Leucine, N-methoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-5-6-7-8-18-12(15)11(9-10(2)3)14-13(16)17-4/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | NHDZGHOBTJJABY-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | COC(NC(C(OCCCCC)=O)CC(C)C)=O |