| SpectraBase Compound ID | 8w1RNkrKoRN |
|---|---|
| InChI | InChI=1S/C13H15FN2O/c1-8(16-9(2)17)5-10-7-15-13-6-11(14)3-4-12(10)13/h3-4,6-8,15H,5H2,1-2H3,(H,16,17) |
| InChIKey | DZIXVSSRRZEZHQ-UHFFFAOYSA-N |
| Mol Weight | 234.27 g/mol |
| Molecular Formula | C13H15FN2O |
| Exact Mass | 234.116841 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BH70aBwBEin |
|---|---|
| Name | 6-Fluoro-amt ac P528 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.116841273 u |
| Formula | C13H15FN2O |
| InChI | InChI=1S/C13H15FN2O/c1-8(16-9(2)17)5-10-7-15-13-6-11(14)3-4-12(10)13/h3-4,6-8,15H,5H2,1-2H3,(H,16,17) |
| InChIKey | DZIXVSSRRZEZHQ-UHFFFAOYSA-N |
| Molecular Weight | 234.274 g/mol |
| SMILES | C1=C(C=C2NC=C(C2=C1)CC(NC(=O)C)C)F |