| SpectraBase Spectrum ID |
44VQsazMZjQ |
| Name |
(E)-2,3,4,4,5,5,6,6,7,7,7-Undecafluoro-1-(4-fluorophenyl)-2-hepten-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.007052704 u |
| Formula |
C13H4F12O |
| InChI |
InChI=1S/C13H4F12O/c14-6-3-1-5(2-4-6)8(26)7(15)9(16)10(17,18)11(19,20)12(21,22)13(23,24)25/h1-4H/b9-7+ |
| InChIKey |
KEFZTBVDCHURBP-VQHVLOKHSA-N |
| Molecular Weight |
404.155 g/mol |
| SMILES |
C(C(\C(=C\(C(C1=CC=C(C=C1)F)=O)F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946524 |
