| SpectraBase Spectrum ID |
E88AvljeF2V |
| Name |
1-Chloranyl-2-[2-(4-chlorophenyl)ethynyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.000305658 u |
| Formula |
C14H8Cl2 |
| InChI |
InChI=1S/C14H8Cl2/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H |
| InChIKey |
VBUQGONSTZHQRW-UHFFFAOYSA-N |
| Molecular Weight |
247.124 g/mol |
| SMILES |
C(#CC1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82212 |
![1-Chloranyl-2-[2-(4-chlorophenyl)ethynyl]benzene](/api/spectrum/E88AvljeF2V/structure.png?h=300&w=458 "1-Chloranyl-2-[2-(4-chlorophenyl)ethynyl]benzene")
