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2,4-Dimethoxybenzylamine, pfp

View entire compound with spectra: 1 FTIR

2,4-Dimethoxybenzylamine, pfp
SpectraBase Compound ID FQYIxk7N9tG
InChI InChI=1S/C12H12F5NO3/c1-20-8-4-3-7(9(5-8)21-2)6-18-10(19)11(13,14)12(15,16)17/h3-5H,6H2,1-2H3,(H,18,19)
InChIKey SWLVEFWQYYJZPE-UHFFFAOYSA-N
Mol Weight 313.22 g/mol
Molecular Formula C12H12F5NO3
Exact Mass 313.073734 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2AEwaSZQcf2
Name 2,4-Dimethoxybenzylamine, pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.073734062 u
Formula C12H12F5NO3
InChI InChI=1S/C12H12F5NO3/c1-20-8-4-3-7(9(5-8)21-2)6-18-10(19)11(13,14)12(15,16)17/h3-5H,6H2,1-2H3,(H,18,19)
InChIKey SWLVEFWQYYJZPE-UHFFFAOYSA-N
Molecular Weight 313.224 g/mol
SMILES C1=C(C(=CC=C1OC)CNC(=O)C(F)(F)C(F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915772