| SpectraBase Compound ID | 40ESkktUup4 |
|---|---|
| InChI | InChI=1S/C16H22FNO3/c1-11(2)6-5-9-21-16(20)12(3)18-15(19)13-7-4-8-14(17)10-13/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,18,19) |
| InChIKey | UMOVFUDRPPSMHY-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 | DT8eokPSgL0 |
|---|---|
| Name | L-Alanine, N-(3-fluorobenzoyl)-, isohexyl 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/c1-11(2)6-5-9-21-16(20)12(3)18-15(19)13-7-4-8-14(17)10-13/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,18,19) |
| InChIKey | UMOVFUDRPPSMHY-UHFFFAOYSA-N |
| Molecular Weight | 295.354 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C(OCCCC(C)C)=O)C)=O)F |