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

*Links on SpectraBase are not permalinks.

3-Hydroxy-4-methoxybenzaldehyde, hfb

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

3-Hydroxy-4-methoxybenzaldehyde, hfb
SpectraBase Compound ID 5HaU4W22DUZ
InChI InChI=1S/C12H7F7O4/c1-22-7-3-2-6(5-20)4-8(7)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey KKYFZGSONNIUKG-UHFFFAOYSA-N
Mol Weight 348.17 g/mol
Molecular Formula C12H7F7O4
Exact Mass 348.023256 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 DIdbwgnnigQ
Name 3-Hydroxy-4-methoxybenzaldehyde, hfb
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.023255842 u
Formula C12H7F7O4
InChI InChI=1S/C12H7F7O4/c1-22-7-3-2-6(5-20)4-8(7)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey KKYFZGSONNIUKG-UHFFFAOYSA-N
Molecular Weight 348.173 g/mol
SMILES C1=C(C(=CC(=C1)C=O)OC(C(F)(F)C(F)(F)C(F)(F)F)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873487