| SpectraBase Compound ID | CZ1Rw6TAtU |
|---|---|
| InChI | InChI=1S/C12H10F5NO3/c1-21-8-4-2-7(3-5-8)9(19)6-18-10(20)11(13,14)12(15,16)17/h2-5H,6H2,1H3,(H,18,20) |
| InChIKey | KPNIHDFOAHJJPM-UHFFFAOYSA-N |
| Mol Weight | 311.21 g/mol |
| Molecular Formula | C12H10F5NO3 |
| Exact Mass | 311.058084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoQpSm3ciM1 |
|---|---|
| Name | 2-(4-Methoxyphenyl)-2-ketoethylamine, pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.058083998 u |
| Formula | C12H10F5NO3 |
| InChI | InChI=1S/C12H10F5NO3/c1-21-8-4-2-7(3-5-8)9(19)6-18-10(20)11(13,14)12(15,16)17/h2-5H,6H2,1H3,(H,18,20) |
| InChIKey | KPNIHDFOAHJJPM-UHFFFAOYSA-N |
| Molecular Weight | 311.208 g/mol |
| SMILES | C1=C(C=CC(=C1)OC)C(CNC(=O)C(F)(F)C(F)(F)F)=O |