| SpectraBase Spectrum ID |
ESuMZuTXC0R |
| Name |
Benzene, 1-chloro-2-[(3-chlorophenyl)ethynyl]- |
| 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/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)16/h1-7,10H |
| InChIKey |
RBKUYWAXYZOTOT-UHFFFAOYSA-N |
| Molecular Weight |
247.124 g/mol |
| SMILES |
C(#CC=1C=C(Cl)C=CC1)C=1C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860367 |
![Benzene, 1-chloro-2-[(3-chlorophenyl)ethynyl]-](/api/spectrum/ESuMZuTXC0R/structure.png?h=300&w=458 "Benzene, 1-chloro-2-[(3-chlorophenyl)ethynyl]-")
