| SpectraBase Compound ID | KJ5cjKa5eyX |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-5-6-7-8-9-12-20-14(18)10-11-17-15(19)21-13-16(2,3)4/h5-13H2,1-4H3,(H,17,19) |
| InChIKey | ZRJWXUWVEVAUSP-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pVjMW21VLd |
|---|---|
| Name | .beta.-Alanine, N-neopentyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-5-6-7-8-9-12-20-14(18)10-11-17-15(19)21-13-16(2,3)4/h5-13H2,1-4H3,(H,17,19) |
| InChIKey | ZRJWXUWVEVAUSP-UHFFFAOYSA-N |
| SMILES | CC(COC(NCCC(OCCCCCCC)=O)=O)(C)C |