| SpectraBase Compound ID | R3tBQyiWNM |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-3-5-7-9-11(14)13-10(12(15)16)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | UAAQMXCVEKGQJZ-UHFFFAOYSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Q5NFPv2TKQ |
|---|---|
| Name | N-Hexanoyl-dl-norleucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.167793602 u |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-3-5-7-9-11(14)13-10(12(15)16)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | UAAQMXCVEKGQJZ-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | C(O)(C(CCCC)NC(CCCCC)=O)=O |