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

*Links on SpectraBase are not permalinks.

4-Bromoguaiacol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

4-Bromoguaiacol, heptafluorobutyrate
SpectraBase Compound ID 9dbM2cueNes
InChI InChI=1S/C11H6BrF7O3/c1-21-7-4-5(12)2-3-6(7)22-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey WQYSYMGHCHMFGA-UHFFFAOYSA-N
Mol Weight 399.06 g/mol
Molecular Formula C11H6BrF7O3
Exact Mass 397.938854 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 eJ5Qsg0gOr
Name 4-Bromoguaiacol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.938854191 u
Formula C11H6BrF7O3
InChI InChI=1S/C11H6BrF7O3/c1-21-7-4-5(12)2-3-6(7)22-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey WQYSYMGHCHMFGA-UHFFFAOYSA-N
Molecular Weight 399.059 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Br)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842102