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1-(2-Bromo-4,5-dimethoxyphenyl)butan-2-amine form

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

1-(2-Bromo-4,5-dimethoxyphenyl)butan-2-amine form
SpectraBase Compound ID 2WBKfP4hS6i
InChI InChI=1S/C13H18BrNO3/c1-4-10(15-8-16)5-9-6-12(17-2)13(18-3)7-11(9)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKey FIGAOHHOWRZRDV-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C13H18BrNO3
Exact Mass 315.047006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BGXwX6uShZS
Name 1-(2-Bromo-4,5-dimethoxyphenyl)butan-2-amine form
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.047006441 u
Formula C13H18BrNO3
InChI InChI=1S/C13H18BrNO3/c1-4-10(15-8-16)5-9-6-12(17-2)13(18-3)7-11(9)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKey FIGAOHHOWRZRDV-UHFFFAOYSA-N
Molecular Weight 316.195 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)CC(NC=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904435