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N,N-Butyl-propyl-2-bromo-4,5-dimethoxyphenethylamine

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

N,N-Butyl-propyl-2-bromo-4,5-dimethoxyphenethylamine
SpectraBase Compound ID 3s14G0USHJj
InChI InChI=1S/C17H28BrNO2/c1-5-7-10-19(9-6-2)11-8-14-12-16(20-3)17(21-4)13-15(14)18/h12-13H,5-11H2,1-4H3
InChIKey XTVQFDOWPADDPA-UHFFFAOYSA-N
Mol Weight 358.32 g/mol
Molecular Formula C17H28BrNO2
Exact Mass 357.130342 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1dwaRoxQ0Lw
Name N,N-Butyl-propyl-2-bromo-4,5-dimethoxyphenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.130342144 u
Formula C17H28BrNO2
InChI InChI=1S/C17H28BrNO2/c1-5-7-10-19(9-6-2)11-8-14-12-16(20-3)17(21-4)13-15(14)18/h12-13H,5-11H2,1-4H3
InChIKey XTVQFDOWPADDPA-UHFFFAOYSA-N
Molecular Weight 358.320 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)CCN(CCCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89049