| SpectraBase Compound ID | 9lnl0XIAggu |
|---|---|
| InChI | InChI=1S/C12H25NO2/c1-5-7-8-9-13-11(10(3)6-2)12(14)15-4/h10-11,13H,5-9H2,1-4H3 |
| InChIKey | DFMFXVMCTCFGEB-UHFFFAOYSA-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 | 3SnXKItRFJP |
|---|---|
| Name | L-Isoleucine, N-(N-pentyl)-, methyl 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/c1-5-7-8-9-13-11(10(3)6-2)12(14)15-4/h10-11,13H,5-9H2,1-4H3 |
| InChIKey | DFMFXVMCTCFGEB-UHFFFAOYSA-N |
| Molecular Weight | 215.337 g/mol |
| SMILES | CCC(C(C(OC)=O)NCCCCC)C |