| SpectraBase Compound ID | 33qDSx35VMI |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-6-7-10-15(18-17(20)22-12-14(4)5)16(19)21-11-8-9-13(2)3/h13-15H,6-12H2,1-5H3,(H,18,20) |
| InChIKey | VBDDVZKPRZYLJU-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 | J9ygPKjcZzN |
|---|---|
| Name | L-Norleucine, N-isobutoxycarbonyl-, 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/c1-6-7-10-15(18-17(20)22-12-14(4)5)16(19)21-11-8-9-13(2)3/h13-15H,6-12H2,1-5H3,(H,18,20) |
| InChIKey | VBDDVZKPRZYLJU-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CC(C)CCCOC(C(NC(OCC(C)C)=O)CCCC)=O |