| SpectraBase Compound ID | COvFL6I4j6r |
|---|---|
| InChI | InChI=1S/C16H13ClFNO2/c1-21-13-5-2-11(3-6-13)16(20)8-9-19-15-7-4-12(17)10-14(15)18/h2-10,19H,1H3/b9-8+ |
| InChIKey | PEISTUARQFOCKN-CMDGGOBGSA-N |
| Mol Weight | 305.74 g/mol |
| Molecular Formula | C16H13ClFNO2 |
| Exact Mass | 305.061885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRBvzw2BB3v |
|---|---|
| Name | Propenone, 3-(4-chloro-2-fluorophenylamino)-1-(4-methoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.061884524 u |
| Formula | C16H13ClFNO2 |
| InChI | InChI=1S/C16H13ClFNO2/c1-21-13-5-2-11(3-6-13)16(20)8-9-19-15-7-4-12(17)10-14(15)18/h2-10,19H,1H3/b9-8+ |
| InChIKey | PEISTUARQFOCKN-CMDGGOBGSA-N |
| Molecular Weight | 305.736 g/mol |
| SMILES | C1(=CC(=CC=C1N\C=C\C(C1=CC=C(OC)C=C1)=O)Cl)F |