| SpectraBase Compound ID | 8CJysCr7xPU |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-5-6(2)7(8(11)13-3)10-9(12)14-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | UZXUHMNMDYKEHI-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlRQLMS1Hvk |
|---|---|
| Name | L-Isoleucine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.115758027 u |
| Formula | C9H17NO4 |
| InChI | InChI=1S/C9H17NO4/c1-5-6(2)7(8(11)13-3)10-9(12)14-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | UZXUHMNMDYKEHI-UHFFFAOYSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | C(C(NC(=O)OC)C(CC)C)(=O)OC |