| SpectraBase Compound ID | AcJNiPrUqJG |
|---|---|
| InChI | InChI=1S/C18H26FNO3/c1-4-5-6-10-23-18(22)16(11-13(2)3)20-17(21)14-8-7-9-15(19)12-14/h7-9,12-13,16H,4-6,10-11H2,1-3H3,(H,20,21) |
| InChIKey | MMPWMPLMWORGQR-UHFFFAOYSA-N |
| Mol Weight | 323.41 g/mol |
| Molecular Formula | C18H26FNO3 |
| Exact Mass | 323.189672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ufMhoabR9R |
|---|---|
| Name | L-Leucine, N-(3-fluorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.189671861 u |
| Formula | C18H26FNO3 |
| InChI | InChI=1S/C18H26FNO3/c1-4-5-6-10-23-18(22)16(11-13(2)3)20-17(21)14-8-7-9-15(19)12-14/h7-9,12-13,16H,4-6,10-11H2,1-3H3,(H,20,21) |
| InChIKey | MMPWMPLMWORGQR-UHFFFAOYSA-N |
| Molecular Weight | 323.408 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(CC(C)C)C(OCCCCC)=O)=O)F |