| SpectraBase Compound ID | GRprHh4u8Cs |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-10(2)8-17-11(15)6-7-14-12(16)18-9-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16) |
| InChIKey | PBBNRXKIUWRTAX-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyQI8ac2AXS |
|---|---|
| Name | .beta.-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/c1-10(2)8-17-11(15)6-7-14-12(16)18-9-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16) |
| InChIKey | PBBNRXKIUWRTAX-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CC(COC(NCCC(OCC(C)C)=O)=O)(C)C |