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3,4,5-Trimethoxybenzylamine pfp

View entire compound with spectra: 1 FTIR

3,4,5-Trimethoxybenzylamine pfp
SpectraBase Compound ID AFIAohcbjno
InChI InChI=1S/C13H14F5NO4/c1-21-8-4-7(5-9(22-2)10(8)23-3)6-19-11(20)12(14,15)13(16,17)18/h4-5H,6H2,1-3H3,(H,19,20)
InChIKey WQUCDTUCNKOCCV-UHFFFAOYSA-N
Mol Weight 343.25 g/mol
Molecular Formula C13H14F5NO4
Exact Mass 343.084299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCwDj6cnPRf
Name 3,4,5-Trimethoxybenzylamine pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.084298746 u
Formula C13H14F5NO4
InChI InChI=1S/C13H14F5NO4/c1-21-8-4-7(5-9(22-2)10(8)23-3)6-19-11(20)12(14,15)13(16,17)18/h4-5H,6H2,1-3H3,(H,19,20)
InChIKey WQUCDTUCNKOCCV-UHFFFAOYSA-N
Molecular Weight 343.250 g/mol
SMILES COC1=C(OC)C(=CC(=C1)CNC(=O)C(F)(F)C(F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869792