| SpectraBase Compound ID | 1wkQPzSSTGu |
|---|---|
| InChI | InChI=1S/C17H24FNO3/c1-3-4-5-6-7-11-22-17(21)13(2)19-16(20)14-9-8-10-15(18)12-14/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,20) |
| InChIKey | WUVGVKZIMFDADA-UHFFFAOYSA-N |
| Mol Weight | 309.38 g/mol |
| Molecular Formula | C17H24FNO3 |
| Exact Mass | 309.174022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zDdRxbeKLx |
|---|---|
| Name | L-Alanine, N-(3-fluorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.174021797 u |
| Formula | C17H24FNO3 |
| InChI | InChI=1S/C17H24FNO3/c1-3-4-5-6-7-11-22-17(21)13(2)19-16(20)14-9-8-10-15(18)12-14/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,20) |
| InChIKey | WUVGVKZIMFDADA-UHFFFAOYSA-N |
| Molecular Weight | 309.381 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C)C(OCCCCCCC)=O)=O)F |