| SpectraBase Compound ID | 2CYqltffNXN |
|---|---|
| InChI | InChI=1S/C17H13FO/c18-16-12-10-14(11-13-16)6-4-5-9-17(19)15-7-2-1-3-8-15/h1-13H/b6-4+,9-5+ |
| InChIKey | NJFPYBCXCSQDMJ-REZHQCRGSA-N |
| Mol Weight | 252.29 g/mol |
| Molecular Formula | C17H13FO |
| Exact Mass | 252.095043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hoICBBH0a2 |
|---|---|
| Name | (2E,4E)-5-(4-Fluorophenyl)-1-phenyl-1-penta-2,4-dienone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.095043201 u |
| Formula | C17H13FO |
| InChI | InChI=1S/C17H13FO/c18-16-12-10-14(11-13-16)6-4-5-9-17(19)15-7-2-1-3-8-15/h1-13H/b6-4+,9-5+ |
| InChIKey | NJFPYBCXCSQDMJ-REZHQCRGSA-N |
| Molecular Weight | 252.288 g/mol |
| SMILES | C(\C=C\C=C\C1=CC=C(C=C1)F)(=O)C=1C=CC=CC1 |