| SpectraBase Compound ID | 7YNXELtlMqv |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-2-3-4-5-6-10-15-22-17(20)13-14-19-18(21)16-11-8-7-9-12-16/h16H,2-15H2,1H3,(H,19,21) |
| InChIKey | ZNEXMEKDBPMBRM-UHFFFAOYSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C18H33NO3 |
| Exact Mass | 311.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACXj2Y6P1oV |
|---|---|
| Name | .beta.-Alanine, N-cyclohexylcarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.246043924 u |
| Formula | C18H33NO3 |
| InChI | InChI=1S/C18H33NO3/c1-2-3-4-5-6-10-15-22-17(20)13-14-19-18(21)16-11-8-7-9-12-16/h16H,2-15H2,1H3,(H,19,21) |
| InChIKey | ZNEXMEKDBPMBRM-UHFFFAOYSA-N |
| Molecular Weight | 311.466 g/mol |
| SMILES | C1CCCCC1C(NCCC(OCCCCCCCC)=O)=O |