| SpectraBase Compound ID | Ie6OSBwNQJX |
|---|---|
| InChI | InChI=1S/C20H30FNO3/c1-2-3-4-5-6-7-8-9-15-25-19(23)13-14-22-20(24)17-11-10-12-18(21)16-17/h10-12,16H,2-9,13-15H2,1H3,(H,22,24) |
| InChIKey | PAYWLXBEXQGXRX-UHFFFAOYSA-N |
| Mol Weight | 351.46 g/mol |
| Molecular Formula | C20H30FNO3 |
| Exact Mass | 351.220972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Xu9DtxIN63 |
|---|---|
| Name | .beta.-Alanine, N-(3-fluorobenzoyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.220971990 u |
| Formula | C20H30FNO3 |
| InChI | InChI=1S/C20H30FNO3/c1-2-3-4-5-6-7-8-9-15-25-19(23)13-14-22-20(24)17-11-10-12-18(21)16-17/h10-12,16H,2-9,13-15H2,1H3,(H,22,24) |
| InChIKey | PAYWLXBEXQGXRX-UHFFFAOYSA-N |
| Molecular Weight | 351.462 g/mol |
| SMILES | C1=C(C=CC=C1C(NCCC(OCCCCCCCCCC)=O)=O)F |