SpectraBase Spectrum ID |
HLIerhgTUrZ |
Name |
1,1,1,3,3,4,4,4-Octafluoro-2-[3-fluoro-2,3-bis(trifluoromethyl)oxiran-2-yl]butan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
413.973701715 u |
Formula |
C8HF15O2 |
InChI |
InChI=1S/C8HF15O2/c9-3(10,7(18,19)20)1(24,5(12,13)14)2(6(15,16)17)4(11,25-2)8(21,22)23/h24H |
InChIKey |
ARMHYFKJCJPMTE-UHFFFAOYSA-N |
Molecular Weight |
414.070 g/mol |
SMILES |
C(C1(C(C(F)(F)F)(F)O1)C(F)(F)F)(C(C(F)(F)F)(F)F)(C(F)(F)F)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932432 |