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2,6-Bis[2-(o-aminophenoxy)methyl]-4-bromo-1-methoxybenzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,6-Bis[2-(o-aminophenoxy)methyl]-4-bromo-1-methoxybenzene
SpectraBase Compound ID JvF6VwZa9RN
InChI InChI=1S/C21H21BrN2O3/c1-25-21-14(12-26-19-8-4-2-6-17(19)23)10-16(22)11-15(21)13-27-20-9-5-3-7-18(20)24/h2-11H,12-13,23-24H2,1H3
InChIKey GGXWWMFMZIDHFC-UHFFFAOYSA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9XZ5rp6c9Lk
Name 2,6-bis[2-(o-Aminophenoxy)methyl]-4-bromo-1-methoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.073555541 u
Formula C21H21BrN2O3
InChI InChI=1S/C21H21BrN2O3/c1-25-21-14(12-26-19-8-4-2-6-17(19)23)10-16(22)11-15(21)13-27-20-9-5-3-7-18(20)24/h2-11H,12-13,23-24H2,1H3
InChIKey GGXWWMFMZIDHFC-UHFFFAOYSA-N
Molecular Weight 429.314 g/mol
SMILES C=1(C(=C(COC=2C(N)=CC=CC2)C=C(C1)Br)OC)COC1=C(N)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932716