| SpectraBase Spectrum ID |
3bPrg5EAMa |
| Name |
1-Fluoro-2-cyclopropyl-3-(4-n-butyl-phenylethynyl)-6-[(3,4,5-trifluoro-phenyl)ethynyl]-benzene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H22F4 |
| InChI |
InChI=1S/C29H22F4/c1-2-3-4-19-5-7-20(8-6-19)9-11-22-15-16-24(28(32)27(22)23-13-14-23)12-10-21-17-25(30)29(33)26(31)18-21/h5-8,15-18,23H,2-4,13-14H2,1H3 |
| InChIKey |
LYILWJQNMRVZJP-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
446.489 g/mol |
| SMILES |
c1(c(c(c(C#Cc2ccc(cc2)CCCC)cc1)C1CC1)F)C#Cc1cc(c(c(c1)F)F)F |
| SPLASH |
splash10-052k-0505900000-2ea0aa3b1906d7c18432 |
| Source of Spectrum |
DE102012004906A1 |
| Wiley ID |
1852175 |
![1-Fluoro-2-cyclopropyl-3-(4-n-butyl-phenylethynyl)-6-[(3,4,5-trifluoro-phenyl)ethynyl]-benzene](/api/spectrum/3bPrg5EAMa/structure.png?h=300&w=458 "1-Fluoro-2-cyclopropyl-3-(4-n-butyl-phenylethynyl)-6-[(3,4,5-trifluoro-phenyl)ethynyl]-benzene")
