| SpectraBase Compound ID | 9LrzRrbdGsi |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-6-8-11-22-17(20)18-15(14(5)7-2)16(19)21-12-9-10-13(3)4/h13-15H,6-12H2,1-5H3,(H,18,20) |
| InChIKey | NKRRTBVCRKJMTP-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 928oJUxMUFx |
|---|---|
| Name | L-Isoleucine, N-butoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-6-8-11-22-17(20)18-15(14(5)7-2)16(19)21-12-9-10-13(3)4/h13-15H,6-12H2,1-5H3,(H,18,20) |
| InChIKey | NKRRTBVCRKJMTP-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CCCCOC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |