SpectraBase Spectrum ID |
9fQVUGdizRa |
Name |
1,1,2,2,4,5,6,6,6-Nonafluoro-1-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]hex-4-en-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
443.964279846 u |
Formula |
C9F16O2 |
InChI |
InChI=1S/C9F16O2/c10-1(2(11)5(14,15)16)3(26)4(12,13)9(24,25)27-6(17,7(18,19)20)8(21,22)23/b2-1+ |
InChIKey |
OQFWYDJINBSMBN-OWOJBTEDSA-N |
Molecular Weight |
444.071 g/mol |
SMILES |
C(C(\C(=C\(C(F)(F)F)F)F)=O)(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906933 |