| SpectraBase Compound ID | B31AfAiOfmG |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-4-11-21-16(19)15(13(3)5-2)18-17(20)22-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,20) |
| InChIKey | REOXQINYPIQAFV-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcRwg6w0fYM |
|---|---|
| Name | L-Isoleucine, N-benzyloxycarbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-4-11-21-16(19)15(13(3)5-2)18-17(20)22-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,20) |
| InChIKey | REOXQINYPIQAFV-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=CC(=CC=C1)COC(NC(C(C)CC)C(OCCC)=O)=O |