| SpectraBase Spectrum ID |
5o39QkgNEQN |
| Name |
Phenyl p-chlorophenylethynyl ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935043 |
