| SpectraBase Compound ID | H4kpqUDIWtn |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-6-7-16-10(14)9(2)13-11(15)17-8-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)/t9-/m0/s1 |
| InChIKey | HYHXNYJKDDMPEP-VIFPVBQESA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMMmShYYcyP |
|---|---|
| Name | L-Alanine, N-neopentyloxycarbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-6-7-16-10(14)9(2)13-11(15)17-8-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)/t9-/m0/s1 |
| InChIKey | HYHXNYJKDDMPEP-VIFPVBQESA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CCCOC([C@@](NC(OCC(C)(C)C)=O)(C)[H])=O |