| SpectraBase Compound ID | Gg0ubpVcqop |
|---|---|
| InChI | InChI=1S/C16H21F2NO3/c1-4-5-8-22-16(21)14(10(2)3)19-15(20)12-9-11(17)6-7-13(12)18/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,19,20) |
| InChIKey | NBIBJEGQEJWTQR-UHFFFAOYSA-N |
| Mol Weight | 313.34 g/mol |
| Molecular Formula | C16H21F2NO3 |
| Exact Mass | 313.14895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nk46VJCmSD |
|---|---|
| Name | L-Valine, N-(2,5-difluorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.148949863 u |
| Formula | C16H21F2NO3 |
| InChI | InChI=1S/C16H21F2NO3/c1-4-5-8-22-16(21)14(10(2)3)19-15(20)12-9-11(17)6-7-13(12)18/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,19,20) |
| InChIKey | NBIBJEGQEJWTQR-UHFFFAOYSA-N |
| Molecular Weight | 313.345 g/mol |
| SMILES | C1(=CC=C(C(=C1)C(NC(C(C)C)C(OCCCC)=O)=O)F)F |