| SpectraBase Compound ID | Jgn6GjuJlb7 |
|---|---|
| InChI | InChI=1S/C15H9ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10H |
| InChIKey | BTSRWVQHIOZQAE-UHFFFAOYSA-N |
| Mol Weight | 240.69 g/mol |
| Molecular Formula | C15H9ClO |
| Exact Mass | 240.034193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lvc4uwcPXy |
|---|---|
| Name | Phenyl p-chlorophenylethynyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.034192609 u |
| Formula | C15H9ClO |
| InChI | InChI=1S/C15H9ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10H |
| InChIKey | BTSRWVQHIOZQAE-UHFFFAOYSA-N |
| Molecular Weight | 240.689 g/mol |
| SMILES | C1(Cl)=CC=C(C#CC(C=2C=CC=CC2)=O)C=C1 |