| SpectraBase Compound ID | 2GtQhlryl6F |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-11(2)8-7-9-19-13(17)12(3)16-14(18)20-10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18) |
| InChIKey | QOFOSMUMEOVLLS-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H29NO4 |
| Exact Mass | 287.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46K0gZKQZqz |
|---|---|
| Name | D-Alanine, N-neopentyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.209658414 u |
| Formula | C15H29NO4 |
| InChI | InChI=1S/C15H29NO4/c1-11(2)8-7-9-19-13(17)12(3)16-14(18)20-10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18) |
| InChIKey | QOFOSMUMEOVLLS-UHFFFAOYSA-N |
| SMILES | CC(NC(OCC(C)(C)C)=O)C(OCCCC(C)C)=O |