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

*Links on SpectraBase are not permalinks.

Benzoic acid, 3-(heptafluorobutyryloxy)-

View entire compound with spectra: 1 FTIR

Benzoic acid, 3-(heptafluorobutyryloxy)-
SpectraBase Compound ID C9KCSFVDO7J
InChI InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-2-5(4-6)7(19)20/h1-4H,(H,19,20)
InChIKey QUDWSOPBFCWKGP-UHFFFAOYSA-N
Mol Weight 334.15 g/mol
Molecular Formula C11H5F7O4
Exact Mass 334.007606 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 C5gTF7keiCZ
Name Benzoic acid, 3-(heptafluorobutyryloxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.007605778 u
Formula C11H5F7O4
InChI InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-2-5(4-6)7(19)20/h1-4H,(H,19,20)
InChIKey QUDWSOPBFCWKGP-UHFFFAOYSA-N
Molecular Weight 334.146 g/mol
SMILES C1=CC=C(C=C1C(=O)O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986105