| SpectraBase Compound ID | LMkqLaVccAK |
|---|---|
| InChI | InChI=1S/C20H30FNO3/c1-3-4-5-6-7-8-9-10-14-25-20(24)16(2)22-19(23)17-12-11-13-18(21)15-17/h11-13,15-16H,3-10,14H2,1-2H3,(H,22,23) |
| InChIKey | AYDSAVORCDAXCC-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 | A3lV1BgQF4 |
|---|---|
| Name | L-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/c1-3-4-5-6-7-8-9-10-14-25-20(24)16(2)22-19(23)17-12-11-13-18(21)15-17/h11-13,15-16H,3-10,14H2,1-2H3,(H,22,23) |
| InChIKey | AYDSAVORCDAXCC-UHFFFAOYSA-N |
| Molecular Weight | 351.462 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C(OCCCCCCCCCC)=O)C)=O)F |