| SpectraBase Compound ID | 9dGub3mDxig |
|---|---|
| InChI | InChI=1S/C13H27NO2/c1-6-9-14(10-7-2)12(11(4)8-3)13(15)16-5/h11-12H,6-10H2,1-5H3 |
| InChIKey | VTEZEJCGLXPNBR-UHFFFAOYSA-N |
| Mol Weight | 229.36 g/mol |
| Molecular Formula | C13H27NO2 |
| Exact Mass | 229.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H81XS3R55YJ |
|---|---|
| Name | L-Isoleucine, N,N-di(N-propyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.204179111 u |
| Formula | C13H27NO2 |
| InChI | InChI=1S/C13H27NO2/c1-6-9-14(10-7-2)12(11(4)8-3)13(15)16-5/h11-12H,6-10H2,1-5H3 |
| InChIKey | VTEZEJCGLXPNBR-UHFFFAOYSA-N |
| Molecular Weight | 229.364 g/mol |
| SMILES | CCC(C(C(OC)=O)N(CCC)CCC)C |