| SpectraBase Spectrum ID |
5IRCogq6eC |
| Name |
1-[(4-Iodophenyl)ethynyl]-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 |
434.016760102 u |
| Formula |
C23H15IO |
| InChI |
InChI=1S/C23H15IO/c1-25-23-16-12-21(13-17-23)9-7-19-4-2-18(3-5-19)6-8-20-10-14-22(24)15-11-20/h2-5,10-17H,1H3 |
| InChIKey |
AXJPVYAPANOUJQ-UHFFFAOYSA-N |
| Molecular Weight |
434.276 g/mol |
| SMILES |
C(#CC1=CC=C(C=C1)OC)C=1C=CC(C#CC=2C=CC(=CC2)I)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807151 |
![1-[(4-Iodophenyl)ethynyl]-4-[(4-methoxyphenyl)ethynyl]benzene](/api/spectrum/5IRCogq6eC/structure.png?h=300&w=458 "1-[(4-Iodophenyl)ethynyl]-4-[(4-methoxyphenyl)ethynyl]benzene")
