| SpectraBase Compound ID | h10gxTfv04 |
|---|---|
| InChI | InChI=1S/C15H31NO2/c1-6-9-11-16(12-10-7-2)14(13(4)8-3)15(17)18-5/h13-14H,6-12H2,1-5H3 |
| InChIKey | ZDRNRENDIDKZIV-UHFFFAOYSA-N |
| Mol Weight | 257.42 g/mol |
| Molecular Formula | C15H31NO2 |
| Exact Mass | 257.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95bTftlmn8H |
|---|---|
| Name | L-Isoleucine, N,N-di(N-butyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.235479240 u |
| Formula | C15H31NO2 |
| InChI | InChI=1S/C15H31NO2/c1-6-9-11-16(12-10-7-2)14(13(4)8-3)15(17)18-5/h13-14H,6-12H2,1-5H3 |
| InChIKey | ZDRNRENDIDKZIV-UHFFFAOYSA-N |
| Molecular Weight | 257.418 g/mol |
| SMILES | CCC(C(C(OC)=O)N(CCCC)CCCC)C |