| SpectraBase Compound ID | 1aj0PAjwiJD |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-6-10-21-16(19)17-14(13(5)7-2)15(18)20-11-8-9-12(3)4/h12-14H,6-11H2,1-5H3,(H,17,19) |
| InChIKey | BRZJNCKCVSQFTE-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | chISGinD16 |
|---|---|
| Name | L-Isoleucine, N-propoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-6-10-21-16(19)17-14(13(5)7-2)15(18)20-11-8-9-12(3)4/h12-14H,6-11H2,1-5H3,(H,17,19) |
| InChIKey | BRZJNCKCVSQFTE-UHFFFAOYSA-N |
| SMILES | CCCOC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |