| SpectraBase Compound ID | 2kGOQHh0iIa |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-6-7-8-9-10-11-12-21-15(19)14(2)18-16(20)22-13-17(3,4)5/h14H,6-13H2,1-5H3,(H,18,20) |
| InChIKey | HYHURVUCXNHNBI-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 | AcaESfGHb7e |
|---|---|
| Name | D-Alanine, N-neopentyloxycarbonyl-, octyl 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/c1-6-7-8-9-10-11-12-21-15(19)14(2)18-16(20)22-13-17(3,4)5/h14H,6-13H2,1-5H3,(H,18,20) |
| InChIKey | HYHURVUCXNHNBI-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CC(NC(OCC(C)(C)C)=O)C(OCCCCCCCC)=O |