| SpectraBase Compound ID | BJp89xLn5A1 |
|---|---|
| InChI | InChI=1S/C16H21F2NO3/c1-10(2)5-4-8-22-16(21)11(3)19-15(20)13-7-6-12(17)9-14(13)18/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20) |
| InChIKey | ZTBBDPZZNOWUJD-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 | JPAlXEaYf8b |
|---|---|
| Name | D-Alanine, N-(2,4-difluorobenzoyl)-, isohexyl 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/c1-10(2)5-4-8-22-16(21)11(3)19-15(20)13-7-6-12(17)9-14(13)18/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20) |
| InChIKey | ZTBBDPZZNOWUJD-UHFFFAOYSA-N |
| Molecular Weight | 313.345 g/mol |
| SMILES | CC(NC(=O)C1=C(C=C(C=C1)F)F)C(OCCCC(C)C)=O |