| SpectraBase Compound ID | 1AQ9mYkdxzH |
|---|---|
| InChI | InChI=1S/C17H33NO3/c1-3-5-7-9-10-12-16(19)18-14-13-17(20)21-15-11-8-6-4-2/h3-15H2,1-2H3,(H,18,19) |
| InChIKey | ZXXXYWWYQSXQLR-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 | JeNSRN6gF08 |
|---|---|
| Name | .beta.-Alanine, N-capryloyl-, hexyl 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/c1-3-5-7-9-10-12-16(19)18-14-13-17(20)21-15-11-8-6-4-2/h3-15H2,1-2H3,(H,18,19) |
| InChIKey | ZXXXYWWYQSXQLR-UHFFFAOYSA-N |
| Molecular Weight | 299.455 g/mol |
| SMILES | CCCCCCCC(NCCC(OCCCCCC)=O)=O |