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

*Links on SpectraBase are not permalinks.

Methyl vanillate, heptafluorobutyrate

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

Methyl vanillate, heptafluorobutyrate
SpectraBase Compound ID DhhNOcATDAv
InChI InChI=1S/C13H9F7O5/c1-23-8-5-6(9(21)24-2)3-4-7(8)25-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3
InChIKey BFKGNXNPRZETKD-UHFFFAOYSA-N
Mol Weight 378.2 g/mol
Molecular Formula C13H9F7O5
Exact Mass 378.033821 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 7q9aE6GImGo
Name Methyl vanillate, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.033820526 u
Formula C13H9F7O5
InChI InChI=1S/C13H9F7O5/c1-23-8-5-6(9(21)24-2)3-4-7(8)25-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3
InChIKey BFKGNXNPRZETKD-UHFFFAOYSA-N
Molecular Weight 378.199 g/mol
SMILES C(C1=CC(OC)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982211