| SpectraBase Compound ID | GgrFJpVi4vm |
|---|---|
| InChI | InChI=1S/C18H15ClO/c1-14(13-15-7-3-2-4-8-15)18(20)12-11-16-9-5-6-10-17(16)19/h2-13H,1H3/b12-11+,14-13+ |
| InChIKey | RNTYQUWWIASLGE-LDHFCIDVSA-N |
| Mol Weight | 282.77 g/mol |
| Molecular Formula | C18H15ClO |
| Exact Mass | 282.081143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UTAsjttKwF |
|---|---|
| Name | (1E,4E)-5-(2-Chlorophenyl)-2-methyl-1-phenyl-1,4-pentadien-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.081142802 u |
| Formula | C18H15ClO |
| InChI | InChI=1S/C18H15ClO/c1-14(13-15-7-3-2-4-8-15)18(20)12-11-16-9-5-6-10-17(16)19/h2-13H,1H3/b12-11+,14-13+ |
| InChIKey | RNTYQUWWIASLGE-LDHFCIDVSA-N |
| SMILES | C1(\C=C\(C(\C=C\C2=C(Cl)C=CC=C2)=O)C)=CC=CC=C1 |