| SpectraBase Spectrum ID |
A0Lso697cAG |
| Name |
1,4-bis[2-(4-Tert-butylphenyl)ethynyl]-2-fluorobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.225329097 u |
| Formula |
C30H29F |
| InChI |
InChI=1S/C30H29F/c1-29(2,3)26-17-11-22(12-18-26)7-8-24-10-16-25(28(31)21-24)15-9-23-13-19-27(20-14-23)30(4,5)6/h10-14,16-21H,1-6H3 |
| InChIKey |
KVGPOVPUVMATLU-UHFFFAOYSA-N |
| Molecular Weight |
408.560 g/mol |
| SMILES |
C(#CC1=CC=C(C(C)(C)C)C=C1)C1=C(C=C(C#CC2=CC=C(C(C)(C)C)C=C2)C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937585 |
![1,4-Bis[2-(4-tert-butylphenyl)ethynyl]-2-fluorobenzene](/api/spectrum/A0Lso697cAG/structure.png?h=300&w=458 "1,4-Bis[2-(4-tert-butylphenyl)ethynyl]-2-fluorobenzene")
