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N-Methyl-1-(3,4-dimethoxyphenyl)butan-2-amine

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

N-Methyl-1-(3,4-dimethoxyphenyl)butan-2-amine
SpectraBase Compound ID Can0QbjiUB5
InChI InChI=1S/C13H21NO2/c1-5-11(14-2)8-10-6-7-12(15-3)13(9-10)16-4/h6-7,9,11,14H,5,8H2,1-4H3
InChIKey SBDUKQGZSDEESF-UHFFFAOYSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G8EQ04rffXu
Name N-Methyl-1-(3,4-dimethoxyphenyl)butan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.157228918 u
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-5-11(14-2)8-10-6-7-12(15-3)13(9-10)16-4/h6-7,9,11,14H,5,8H2,1-4H3
InChIKey SBDUKQGZSDEESF-UHFFFAOYSA-N
Molecular Weight 223.316 g/mol
SMILES C1(=CC(=C(C=C1)OC)OC)CC(NC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969804