| SpectraBase Compound ID | HMhoJZrp2dS |
|---|---|
| InChI | InChI=1S/C12H25NO2/c1-7-10(6)11(13-8(2)3)12(14)15-9(4)5/h8-11,13H,7H2,1-6H3/t10-,11+/m1/s1 |
| InChIKey | DBBMVVLNAOZAQR-MNOVXSKESA-N |
| Mol Weight | 215.34 g/mol |
| Molecular Formula | C12H25NO2 |
| Exact Mass | 215.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jLlcKUEKp8 |
|---|---|
| Name | L-Alloisoleucine, N-(1-methylethyl)-, 1-methylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.188529047 u |
| Formula | C12H25NO2 |
| InChI | InChI=1S/C12H25NO2/c1-7-10(6)11(13-8(2)3)12(14)15-9(4)5/h8-11,13H,7H2,1-6H3/t10-,11+/m1/s1 |
| InChIKey | DBBMVVLNAOZAQR-MNOVXSKESA-N |
| Molecular Weight | 215.337 g/mol |
| SMILES | C([C@@](NC(C)C)([C@@](CC)(C)[H])[H])(OC(C)C)=O |