For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,1,1,3,3,4,4,5,5,6,8,8,8-Tridecafluoro-7-(trifluoromethyl)oct-6-en-2-one

View entire compound with spectra: 1 FTIR

1,1,1,3,3,4,4,5,5,6,8,8,8-Tridecafluoro-7-(trifluoromethyl)oct-6-en-2-one
SpectraBase Compound ID ErlIVIynOr9
InChI InChI=1S/C9F16O/c10-2(1(6(15,16)17)7(18,19)20)4(11,12)9(24,25)5(13,14)3(26)8(21,22)23
InChIKey BTMJGQGDWXDGNN-UHFFFAOYSA-N
Mol Weight 428.07 g/mol
Molecular Formula C9F16O
Exact Mass 427.969365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 90k5IDKwoWQ
Name 1,1,1,3,3,4,4,5,5,6,8,8,8-Tridecafluoro-7-(trifluoromethyl)oct-6-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.969365227 u
Formula C9F16O
InChI InChI=1S/C9F16O/c10-2(1(6(15,16)17)7(18,19)20)4(11,12)9(24,25)5(13,14)3(26)8(21,22)23
InChIKey BTMJGQGDWXDGNN-UHFFFAOYSA-N
Molecular Weight 428.072 g/mol
SMILES C(C(=C(C(F)(F)F)C(F)(F)F)F)(C(C(C(C(F)(F)F)=O)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972992