| SpectraBase Compound ID | CkXPRWUyzKs |
|---|---|
| InChI | InChI=1S/C17H11ClO2/c18-15-9-7-14(8-10-15)17(20)12-16(19)11-6-13-4-2-1-3-5-13/h1-5,7-10H,12H2 |
| InChIKey | GTBZTIFHBBFNNI-UHFFFAOYSA-N |
| Mol Weight | 282.73 g/mol |
| Molecular Formula | C17H11ClO2 |
| Exact Mass | 282.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fkffse1s8 |
|---|---|
| Name | 1-(4-Chlorophenyl)-5-phenyl-4-pentyne-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.044757292 u |
| Formula | C17H11ClO2 |
| InChI | InChI=1S/C17H11ClO2/c18-15-9-7-14(8-10-15)17(20)12-16(19)11-6-13-4-2-1-3-5-13/h1-5,7-10H,12H2 |
| InChIKey | GTBZTIFHBBFNNI-UHFFFAOYSA-N |
| SMILES | C(#CC(CC(=O)C=1C=CC(=CC1)Cl)=O)C=1C=CC=CC1 |