| SpectraBase Spectrum ID |
76Xt9tRDbym |
| Name |
1-Choro-4-((4-methoxyphenyl)ethynyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.049842673 u |
| Formula |
C15H11ClO |
| InChI |
InChI=1S/C15H11ClO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,1H3 |
| InChIKey |
ASUXHTOVUZQICF-UHFFFAOYSA-N |
| Molecular Weight |
242.705 g/mol |
| SMILES |
C=1(C=CC(=CC1)C#CC=1C=CC(=CC1)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902819 |
