| SpectraBase Compound ID | J7JgKxVbbcj |
|---|---|
| InChI | InChI=1S/C17H23F2NO3/c1-4-5-6-9-23-17(22)15(11(2)3)20-16(21)13-10-12(18)7-8-14(13)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,21) |
| InChIKey | LOEGLQBFJLZNDK-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 | BXh7CUdxom8 |
|---|---|
| Name | L-Valine, N-(2,5-difluorobenzoyl)-, pentyl 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/c1-4-5-6-9-23-17(22)15(11(2)3)20-16(21)13-10-12(18)7-8-14(13)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,21) |
| InChIKey | LOEGLQBFJLZNDK-UHFFFAOYSA-N |
| Molecular Weight | 327.372 g/mol |
| SMILES | C1=C(C(=CC=C1F)F)C(NC(C(C)C)C(OCCCCC)=O)=O |