| SpectraBase Spectrum ID |
6GfzjQ8x3Fh |
| Name |
2,2,3,3,4,4,5-Heptafluoro-5-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1-(trifluoromethyl)cyclopentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.975593422 u |
| Formula |
C9HF17O |
| InChI |
InChI=1S/C9HF17O/c10-1(2(11,7(18,19)20)8(21,22)23)3(27,9(24,25)26)5(14,15)6(16,17)4(1,12)13/h27H |
| InChIKey |
LEKJLWULNBZORY-UHFFFAOYSA-N |
| Molecular Weight |
448.079 g/mol |
| SMILES |
C1(C(C(F)(F)C(C1(C(F)(F)F)O)(F)C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886532 |
![2,2,3,3,4,4,5-Heptafluoro-5-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1-(trifluoromethyl)cyclopentanol](/api/spectrum/6GfzjQ8x3Fh/structure.png?h=300&w=458 "2,2,3,3,4,4,5-Heptafluoro-5-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1-(trifluoromethyl)cyclopentanol")
