| SpectraBase Compound ID | 418QnIo4KwZ |
|---|---|
| InChI | InChI=1S/C16H22FNO3/c1-4-8-21-16(20)14(9-11(2)3)18-15(19)12-6-5-7-13(17)10-12/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,18,19) |
| InChIKey | OQYYCJVKYCVFKH-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 | 65narhmX8i6 |
|---|---|
| Name | L-Leucine, N-(3-fluorobenzoyl)-, propyl 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/c1-4-8-21-16(20)14(9-11(2)3)18-15(19)12-6-5-7-13(17)10-12/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,18,19) |
| InChIKey | OQYYCJVKYCVFKH-UHFFFAOYSA-N |
| Molecular Weight | 295.354 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C(OCCC)=O)CC(C)C)=O)F |