| SpectraBase Compound ID | 5qByzICZeRm |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-6-11(4)12(15-14(17)18-5)13(16)19-9-7-8-10(2)3/h10-12H,6-9H2,1-5H3,(H,15,17) |
| InChIKey | NVQHHZNCDZQXEQ-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 | JxoGIQCSgAf |
|---|---|
| Name | L-Isoleucine, N-methoxycarbonyl-, isohexyl 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/c1-6-11(4)12(15-14(17)18-5)13(16)19-9-7-8-10(2)3/h10-12H,6-9H2,1-5H3,(H,15,17) |
| InChIKey | NVQHHZNCDZQXEQ-UHFFFAOYSA-N |
| SMILES | COC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |