| SpectraBase Compound ID | 5WOkh6TgDbZ |
|---|---|
| InChI | InChI=1S/C17H33NO3/c1-3-5-7-8-9-11-15-21-17(20)13-14-18-16(19)12-10-6-4-2/h3-15H2,1-2H3,(H,18,19) |
| InChIKey | MMBXCVDQCDHCKA-UHFFFAOYSA-N |
| Mol Weight | 299.5 g/mol |
| Molecular Formula | C17H33NO3 |
| Exact Mass | 299.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8trUBZHg7ey |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.246043924 u |
| Formula | C17H33NO3 |
| InChI | InChI=1S/C17H33NO3/c1-3-5-7-8-9-11-15-21-17(20)13-14-18-16(19)12-10-6-4-2/h3-15H2,1-2H3,(H,18,19) |
| InChIKey | MMBXCVDQCDHCKA-UHFFFAOYSA-N |
| Molecular Weight | 299.455 g/mol |
| SMILES | CCCCCC(NCCC(OCCCCCCCC)=O)=O |