| SpectraBase Compound ID | 310KoWzJpOA |
|---|---|
| InChI | InChI=1S/C13H26N2O2/c1-6-8-9-17-13(16)12(11(3)7-2)14-10-15(4)5/h10-12H,6-9H2,1-5H3/b14-10+ |
| InChIKey | AQIGFQBULJUEKA-GXDHUFHOSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C13H26N2O2 |
| Exact Mass | 242.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYmiKIjylrc |
|---|---|
| Name | L-Isoleucine, N-dimethylaminomethylene-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.199428083 u |
| Formula | C13H26N2O2 |
| InChI | InChI=1S/C13H26N2O2/c1-6-8-9-17-13(16)12(11(3)7-2)14-10-15(4)5/h10-12H,6-9H2,1-5H3/b14-10+ |
| InChIKey | AQIGFQBULJUEKA-GXDHUFHOSA-N |
| Molecular Weight | 242.363 g/mol |
| SMILES | C(C(C(OCCCC)=O)\N=C\N(C)C)(CC)C |