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

*Links on SpectraBase are not permalinks.

4-Chloro-3-ethylphenol, o-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

4-Chloro-3-ethylphenol, o-heptafluorobutyryl-
SpectraBase Compound ID 8EkUK4FocR1
InChI InChI=1S/C12H8ClF7O2/c1-2-6-5-7(3-4-8(6)13)22-9(21)10(14,15)11(16,17)12(18,19)20/h3-5H,2H2,1H3
InChIKey WXSYFQUKOPHPLQ-UHFFFAOYSA-N
Mol Weight 352.64 g/mol
Molecular Formula C12H8ClF7O2
Exact Mass 352.010104 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 1jxhrujRRp
Name 4-Chloro-3-ethylphenol, o-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.010104337 u
Formula C12H8ClF7O2
InChI InChI=1S/C12H8ClF7O2/c1-2-6-5-7(3-4-8(6)13)22-9(21)10(14,15)11(16,17)12(18,19)20/h3-5H,2H2,1H3
InChIKey WXSYFQUKOPHPLQ-UHFFFAOYSA-N
Molecular Weight 352.636 g/mol
SMILES C(C)C1=C(Cl)C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893612