![1,1,1,3,3,3-hexafluoro-2-[2-iodo-5-methyl-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]propan-2-ol](/api/spectrum/LyIehWJOiv2/structure.png?h=300&w=458 "1,1,1,3,3,3-hexafluoro-2-[2-iodo-5-methyl-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]propan-2-ol")
| SpectraBase Compound ID | GGlXyNzSkVK |
|---|---|
| InChI | InChI=1S/C13H7F12IO2/c1-4-2-5(8(27,10(14,15)16)11(17,18)19)7(26)6(3-4)9(28,12(20,21)22)13(23,24)25/h2-3,27-28H,1H3 |
| InChIKey | KHWTWCQKLDZSTF-UHFFFAOYSA-N |
| Mol Weight | 550.08 g/mol |
| Molecular Formula | C13H7F12IO2 |
| Exact Mass | 549.929912 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LyIehWJOiv2 |
|---|---|
| Name | 1,1,1,3,3,3-hexafluoro-2-[2-iodo-5-methyl-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]propan-2-ol |
| CAS Registry Number | 80360-43-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H7F12IO2 |
| InChI | InChI=1S/C13H7F12IO2/c1-4-2-5(8(27,10(14,15)16)11(17,18)19)7(26)6(3-4)9(28,12(20,21)22)13(23,24)25/h2-3,27-28H,1H3 |
| InChIKey | KHWTWCQKLDZSTF-UHFFFAOYSA-N |
| Molecular Weight | 550.082 g/mol |
| SMILES | OC(c1c(c(C(C(F)(F)F)(C(F)(F)F)O)cc(c1)C)I)(C(F)(F)F)C(F)(F)F |
| SPLASH | splash10-0w29-0000690000-c339b97bdfbb43729ec2 |
| Source of Spectrum | J-47-1024-0 |
| Synonyms | 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodo-5-methylphenyl]-2-propanol 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodo-5-methylphenyl]propan-2-ol 1,1,1,3,3,3-hexakis(fluoranyl)-2-[3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2-iodanyl-5-methyl-phenyl]propan-2-ol |
| Wiley ID | 1405618 |