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

*Links on SpectraBase are not permalinks.

4-Heptafluorobutyryloxyoctane

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Heptafluorobutyryloxyoctane
SpectraBase Compound ID H0A5zOpza4z
InChI InChI=1S/C12H17F7O2/c1-3-5-7-8(6-4-2)21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3
InChIKey LZVZZQBRCOSVFP-UHFFFAOYSA-N
Mol Weight 326.25 g/mol
Molecular Formula C12H17F7O2
Exact Mass 326.111677 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 57nPLL4UTGm
Name 4-Heptafluorobutyryloxyoctane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.111676926 u
Formula C12H17F7O2
InChI InChI=1S/C12H17F7O2/c1-3-5-7-8(6-4-2)21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3
InChIKey LZVZZQBRCOSVFP-UHFFFAOYSA-N
Molecular Weight 326.255 g/mol
SMILES CCCCC(OC(C(F)(C(C(F)(F)F)(F)F)F)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939984