| SpectraBase Spectrum ID |
5rDhooH866P |
| Name |
1-(1-Adamantylidene-1-phenylmethyl)-3,3,4,4,5,5-hexafluoro-2-(3-thienyl)cyclopentene |
| Alternate Name(s) |
3-{3,3,4,4,5,5-hexafluoro-2-[phenyl(tricyclo[3.3.1.1(3,7)]dec-2-ylidene)methyl]-1-cyclopenten-1-yl}thiophene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H22F6S |
| InChI |
InChI=1S/C26H22F6S/c27-24(28)22(17-6-7-33-13-17)23(25(29,30)26(24,31)32)21(16-4-2-1-3-5-16)20-18-9-14-8-15(11-18)12-19(20)10-14/h1-7,13-15,18-19H,8-12H2/b21-20-/t14-,15+,18-,19+ |
| InChIKey |
LKUDSXIHCHKJSC-AQGKOTARSA-N |
| Molecular Weight |
480.512 g/mol |
| SMILES |
C1(C(C(C(=C2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])c2ccccc2)=C(C1(F)F)c1cscc1)(F)F)(F)F |
| SPLASH |
splash10-004i-0000900000-ab5252860579b298c43a |
| Source of Spectrum |
AJ-76-360-2 |
| Wiley ID |
1577274 |
