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2-Hydroxy-5-methoxybenzaldehyde, heptafluorobutyrate

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

2-Hydroxy-5-methoxybenzaldehyde, heptafluorobutyrate
SpectraBase Compound ID 51VQ6ZoaWAm
InChI InChI=1S/C12H7F7O4/c1-22-7-2-3-8(6(4-7)5-20)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey LMYJNLGUXYAUNL-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

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SpectraBase Spectrum ID L6GQM8bJnMf
Name 2-Hydroxy-5-methoxybenzaldehyde, heptafluorobutyrate
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/c1-22-7-2-3-8(6(4-7)5-20)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey LMYJNLGUXYAUNL-UHFFFAOYSA-N
Molecular Weight 348.173 g/mol
SMILES C1(=C(C=CC(=C1)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879698