| SpectraBase Spectrum ID |
4oQRQ3ll19W |
| Name |
1,1'-Ethyne-1,2-diylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene] |
| Alternate Name(s) |
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-4-{2-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]ethynyl}benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H16F26 |
| InChI |
InChI=1S/C30H16F26/c31-19(32,21(35,36)23(39,40)25(43,44)27(47,48)29(51,52)53)13-11-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)12-14-20(33,34)22(37,38)24(41,42)26(45,46)28(49,50)30(54,55)56/h3-10H,11-14H2 |
| InChIKey |
PAGCWKRDWOWXSZ-UHFFFAOYSA-N |
| Molecular Weight |
870.416 g/mol |
| SMILES |
C(#Cc1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| SPLASH |
splash10-00di-0000100090-a3750e4b9b18b73736e0 |
| Source of Spectrum |
F4-0-2895-3 |
| Wiley ID |
1620487 |
![1,1'-Ethyne-1,2-diylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene]](/api/spectrum/4oQRQ3ll19W/structure.png?h=300&w=458 "1,1'-Ethyne-1,2-diylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene]")
