| SpectraBase Compound ID | Bv95Qq7bGy8 |
|---|---|
| InChI | InChI=1S/C21H25F2NO/c1-2-3-4-5-9-14-24(16-17-10-7-6-8-11-17)21(25)19-15-18(22)12-13-20(19)23/h6-8,10-13,15H,2-5,9,14,16H2,1H3 |
| InChIKey | FIHBWPUBKKFGBT-UHFFFAOYSA-N |
| Mol Weight | 345.43 g/mol |
| Molecular Formula | C21H25F2NO |
| Exact Mass | 345.190421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPuvpoVkuOJ |
|---|---|
| Name | Benzamide, 2,5-difluoro-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.190420754 u |
| Formula | C21H25F2NO |
| InChI | InChI=1S/C21H25F2NO/c1-2-3-4-5-9-14-24(16-17-10-7-6-8-11-17)21(25)19-15-18(22)12-13-20(19)23/h6-8,10-13,15H,2-5,9,14,16H2,1H3 |
| InChIKey | FIHBWPUBKKFGBT-UHFFFAOYSA-N |
| Molecular Weight | 345.434 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=CC=C(F)C1 |