| SpectraBase Compound ID | JcnaRbqqmEk |
|---|---|
| InChI | InChI=1S/C11H12F2N2O2/c1-7(16)14-5-4-11(17)15-10-6-8(12)2-3-9(10)13/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | KMZZHKILSZNPGG-UHFFFAOYSA-N |
| Mol Weight | 242.23 g/mol |
| Molecular Formula | C11H12F2N2O2 |
| Exact Mass | 242.086684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | vQVZLgcj8W |
|---|---|
| Name | 3-Amino-N-(2,5-difluorophenyl)propanamide, N'-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.086683958 u |
| Formula | C11H12F2N2O2 |
| InChI | InChI=1S/C11H12F2N2O2/c1-7(16)14-5-4-11(17)15-10-6-8(12)2-3-9(10)13/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | KMZZHKILSZNPGG-UHFFFAOYSA-N |
| Molecular Weight | 242.226 g/mol |
| SMILES | C(CCNC(=O)C)(=O)NC=1C(F)=CC=C(F)C1 |