| SpectraBase Compound ID | LhqsH5AouWg |
|---|---|
| InChI | InChI=1S/C17H23F2NO3/c1-3-4-5-6-7-11-23-17(22)12(2)20-16(21)15-13(18)9-8-10-14(15)19/h8-10,12H,3-7,11H2,1-2H3,(H,20,21) |
| InChIKey | QDNXRVGKHQDMJE-UHFFFAOYSA-N |
| Mol Weight | 327.37 g/mol |
| Molecular Formula | C17H23F2NO3 |
| Exact Mass | 327.1646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOgQdC0kVjW |
|---|---|
| Name | L-Alanine, N-(2,6-difluorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.164599928 u |
| Formula | C17H23F2NO3 |
| InChI | InChI=1S/C17H23F2NO3/c1-3-4-5-6-7-11-23-17(22)12(2)20-16(21)15-13(18)9-8-10-14(15)19/h8-10,12H,3-7,11H2,1-2H3,(H,20,21) |
| InChIKey | QDNXRVGKHQDMJE-UHFFFAOYSA-N |
| Molecular Weight | 327.372 g/mol |
| SMILES | C1(=CC=CC(=C1C(NC(C)C(OCCCCCCC)=O)=O)F)F |