| SpectraBase Compound ID | HFrJnVWCbT6 |
|---|---|
| InChI | InChI=1S/C13H13ClFNO/c1-16(2)9-8-10(17)6-7-11-12(14)4-3-5-13(11)15/h3-9H,1-2H3/b7-6+,9-8+ |
| InChIKey | IBHIVQJKOJIYEH-BLHCBFLLSA-N |
| Mol Weight | 253.7 g/mol |
| Molecular Formula | C13H13ClFNO |
| Exact Mass | 253.06697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zDHZbeZwJH |
|---|---|
| Name | Penta-1,4-dien-3-one, 1-(2-chloro-6-fluorophenyl)-5-dimethylamino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.066969905 u |
| Formula | C13H13ClFNO |
| InChI | InChI=1S/C13H13ClFNO/c1-16(2)9-8-10(17)6-7-11-12(14)4-3-5-13(11)15/h3-9H,1-2H3/b7-6+,9-8+ |
| InChIKey | IBHIVQJKOJIYEH-BLHCBFLLSA-N |
| Molecular Weight | 253.704 g/mol |
| SMILES | C1(\C=C\C(\C=C\N(C)C)=O)=C(Cl)C=CC=C1F |