| SpectraBase Compound ID | IafX41mt7m8 |
|---|---|
| InChI | InChI=1S/C16H22FNO3/c1-3-4-5-6-10-21-16(20)12(2)18-15(19)13-8-7-9-14(17)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,18,19) |
| InChIKey | JPVYNBRJHNDOKW-UHFFFAOYSA-N |
| Mol Weight | 295.35 g/mol |
| Molecular Formula | C16H22FNO3 |
| Exact Mass | 295.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLD2PccZeYF |
|---|---|
| Name | L-Alanine, N-(3-fluorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.158371732 u |
| Formula | C16H22FNO3 |
| InChI | InChI=1S/C16H22FNO3/c1-3-4-5-6-10-21-16(20)12(2)18-15(19)13-8-7-9-14(17)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,18,19) |
| InChIKey | JPVYNBRJHNDOKW-UHFFFAOYSA-N |
| Molecular Weight | 295.354 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C)C(OCCCCCC)=O)=O)F |