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

*Links on SpectraBase are not permalinks.

Vanillic acid, 2,2,3,3-tetrafluoro-1-propyl ester

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

Vanillic acid, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID KuVQY9BPQxl
InChI InChI=1S/C11H10F4O4/c1-18-8-4-6(2-3-7(8)16)9(17)19-5-11(14,15)10(12)13/h2-4,10,16H,5H2,1H3
InChIKey VVQORWLLSADPRT-UHFFFAOYSA-N
Mol Weight 282.19 g/mol
Molecular Formula C11H10F4O4
Exact Mass 282.051521 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 8XgKWXGL15S
Name Vanillic acid, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.051521450 u
Formula C11H10F4O4
InChI InChI=1S/C11H10F4O4/c1-18-8-4-6(2-3-7(8)16)9(17)19-5-11(14,15)10(12)13/h2-4,10,16H,5H2,1H3
InChIKey VVQORWLLSADPRT-UHFFFAOYSA-N
Molecular Weight 282.191 g/mol
SMILES C1(=CC(=C(C=C1)O)OC)C(OCC(C(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939397