| SpectraBase Compound ID | 1oLJMyQnouN |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-5-8-16-10(14)6-7-13-11(15)17-9-12(2,3)4/h5-9H2,1-4H3,(H,13,15) |
| InChIKey | DAHOHZGNYITWQZ-UHFFFAOYSA-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 | INZiB33F6ZA |
|---|---|
| Name | .beta.-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/c1-5-8-16-10(14)6-7-13-11(15)17-9-12(2,3)4/h5-9H2,1-4H3,(H,13,15) |
| InChIKey | DAHOHZGNYITWQZ-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | C(OC(NCCC(OCCC)=O)=O)C(C)(C)C |