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N,N-Dihexyl-1-(2-bromo-4,5-dimethoxyphenyl)butan-2-amine

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

N,N-Dihexyl-1-(2-bromo-4,5-dimethoxyphenyl)butan-2-amine
SpectraBase Compound ID ht71osEFJK
InChI InChI=1S/C24H42BrNO2/c1-6-9-11-13-15-26(16-14-12-10-7-2)21(8-3)17-20-18-23(27-4)24(28-5)19-22(20)25/h18-19,21H,6-17H2,1-5H3
InChIKey WVIHXISAOCRXBR-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C24H42BrNO2
Exact Mass 455.239893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LaxTM7YyHqc
Name N,N-Dihexyl-1-(2-bromo-4,5-dimethoxyphenyl)butan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.239892594 u
Formula C24H42BrNO2
InChI InChI=1S/C24H42BrNO2/c1-6-9-11-13-15-26(16-14-12-10-7-2)21(8-3)17-20-18-23(27-4)24(28-5)19-22(20)25/h18-19,21H,6-17H2,1-5H3
InChIKey WVIHXISAOCRXBR-UHFFFAOYSA-N
Molecular Weight 456.509 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)CC(N(CCCCCC)CCCCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911119