| SpectraBase Compound ID | 7EMc29pmA8Y |
|---|---|
| InChI | InChI=1S/C15H20FNO3/c1-3-4-5-10-20-15(19)11(2)17-14(18)12-6-8-13(16)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,17,18) |
| InChIKey | CTXKXNYKZXEVEX-UHFFFAOYSA-N |
| Mol Weight | 281.33 g/mol |
| Molecular Formula | C15H20FNO3 |
| Exact Mass | 281.142722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5n6n7dC7UnB |
|---|---|
| Name | L-Alanine, N-(4-fluorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.142721668 u |
| Formula | C15H20FNO3 |
| InChI | InChI=1S/C15H20FNO3/c1-3-4-5-10-20-15(19)11(2)17-14(18)12-6-8-13(16)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,17,18) |
| InChIKey | CTXKXNYKZXEVEX-UHFFFAOYSA-N |
| Molecular Weight | 281.327 g/mol |
| SMILES | C1(=CC=C(C=C1)C(NC(C(OCCCCC)=O)C)=O)F |