| SpectraBase Compound ID | BoLpqNkf6v4 |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-6-9-18-13(16)12(11(4)8-3)15(5)14(17)19-10-7-2/h11-12H,6-10H2,1-5H3 |
| InChIKey | AFKRIUYYPOQNAP-UHFFFAOYSA-N |
| Mol Weight | 273.37 g/mol |
| Molecular Formula | C14H27NO4 |
| Exact Mass | 273.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iNSPlFMXKj |
|---|---|
| Name | L-Isoleucine, N-methyl-N-(N-propyloxycarbonyl)-, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.194008349 u |
| Formula | C14H27NO4 |
| InChI | InChI=1S/C14H27NO4/c1-6-9-18-13(16)12(11(4)8-3)15(5)14(17)19-10-7-2/h11-12H,6-10H2,1-5H3 |
| InChIKey | AFKRIUYYPOQNAP-UHFFFAOYSA-N |
| SMILES | CCC(C(C(OCCC)=O)N(C)C(OCCC)=O)C |