| SpectraBase Spectrum ID |
CfkAq1qTLGg |
| Name |
5,5,5-Trifluoro-2-methyl-3-[2-[3,3,3-trifluoro-1-(1-hydroxy-1-methylethyl)propenylthio]ethylthio]pent-3-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.080891208 u |
| Formula |
C14H20F6O2S2 |
| InChI |
InChI=1S/C14H20F6O2S2/c1-11(2,21)9(7-13(15,16)17)23-5-6-24-10(12(3,4)22)8-14(18,19)20/h7-8,21-22H,5-6H2,1-4H3/b9-7-,10-8- |
| InChIKey |
FAUKBFTZDZYVFM-XOHWUJONSA-N |
| Molecular Weight |
398.422 g/mol |
| SMILES |
C(\C=C\(C(O)(C)C)SCCS\C(=C/C(F)(F)F)C(O)(C)C)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934688 |
![5,5,5-Trifluoro-2-methyl-3-[2-[3,3,3-trifluoro-1-(1-hydroxy-1-methylethyl)propenylthio]ethylthio]pent-3-en-2-ol](/api/spectrum/CfkAq1qTLGg/structure.png?h=300&w=458 "5,5,5-Trifluoro-2-methyl-3-[2-[3,3,3-trifluoro-1-(1-hydroxy-1-methylethyl)propenylthio]ethylthio]pent-3-en-2-ol")
