| SpectraBase Compound ID | BnLAz1Z0DTx |
|---|---|
| InChI | InChI=1S/C15H13FN2/c16-13-8-6-12(7-9-13)15(10-11-17)18-14-4-2-1-3-5-14/h1-9,15,18H,10H2 |
| InChIKey | OFSQNIYWVXUQTL-UHFFFAOYSA-N |
| Mol Weight | 240.28 g/mol |
| Molecular Formula | C15H13FN2 |
| Exact Mass | 240.106277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Knu8GaW7Xq2 |
|---|---|
| Name | 3-Anilino-3-(4-fluorophenyl)-propionic acid nitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.106276590 u |
| Formula | C15H13FN2 |
| InChI | InChI=1S/C15H13FN2/c16-13-8-6-12(7-9-13)15(10-11-17)18-14-4-2-1-3-5-14/h1-9,15,18H,10H2 |
| InChIKey | OFSQNIYWVXUQTL-UHFFFAOYSA-N |
| Molecular Weight | 240.281 g/mol |
| SMILES | C(CC(C=1C=CC(=CC1)F)NC=1C=CC=CC1)#N |