| SpectraBase Spectrum ID |
KwwS5yZu4ef |
| Name |
1,4-bis[(4-Tert-butylphenyl)ethynyl]-2-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.222135423 u |
| Formula |
C31H29F3 |
| InChI |
InChI=1S/C31H29F3/c1-29(2,3)26-17-11-22(12-18-26)7-8-24-10-16-25(28(21-24)31(32,33)34)15-9-23-13-19-27(20-14-23)30(4,5)6/h10-14,16-21H,1-6H3 |
| InChIKey |
KFTNSEYNORIJRR-UHFFFAOYSA-N |
| Molecular Weight |
458.568 g/mol |
| SMILES |
C(C1=C(C#CC=2C=CC(C(C)(C)C)=CC2)C=CC(C#CC2=CC=C(C(C)(C)C)C=C2)=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869055 |
![1,4-Bis[(4-tert-butylphenyl)ethynyl]-2-(trifluoromethyl)benzene](/api/spectrum/KwwS5yZu4ef/structure.png?h=300&w=458 "1,4-Bis[(4-tert-butylphenyl)ethynyl]-2-(trifluoromethyl)benzene")
