| SpectraBase Compound ID | 59G6uumlKhX |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-9(2)7-17-11(15)10(3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey | KPIPBWFYJRHDQT-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9PUhFHqUFGq |
|---|---|
| Name | D-Alanine, N-neopentyloxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-9(2)7-17-11(15)10(3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey | KPIPBWFYJRHDQT-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CC(NC(OCC(C)(C)C)=O)C(OCC(C)C)=O |