| SpectraBase Compound ID | GQ1H9CYEK9i |
|---|---|
| InChI | InChI=1S/C15H28N2O5/c1-9(2)7-11(17-15(20)22-6)13(18)16-12(8-10(3)4)14(19)21-5/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,20) |
| InChIKey | ZWHCMZSHEZVVRF-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C15H28N2O5 |
| Exact Mass | 316.199822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0ww6IWN5PQ |
|---|---|
| Name | L-leu-L-leu, N-(Methoxycarbonyl)-, methyl ester (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.199822005 u |
| Formula | C15H28N2O5 |
| InChI | InChI=1S/C15H28N2O5/c1-9(2)7-11(17-15(20)22-6)13(18)16-12(8-10(3)4)14(19)21-5/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,20) |
| InChIKey | ZWHCMZSHEZVVRF-UHFFFAOYSA-N |
| Molecular Weight | 316.398 g/mol |
| SMILES | C(NC(C(=O)OC)CC(C)C)(C(CC(C)C)NC(OC)=O)=O |