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4-Bromo-3-methoxy-alpha-methylphenethylamine, hydrochloride

View entire compound with spectra: 1 FTIR, and 1 Raman

4-Bromo-3-methoxy-alpha-methylphenethylamine, hydrochloride
SpectraBase Compound ID JOIcYn1NTFg
InChI InChI=1S/C10H14BrNO.ClH/c1-7(12)5-8-3-4-9(11)10(6-8)13-2;/h3-4,6-7H,5,12H2,1-2H3;1H
InChIKey NITOVXGBBNKIJZ-UHFFFAOYSA-N
Mol Weight 280.59 g/mol
Molecular Formula C10H15BrClNO
Exact Mass 279.002555 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LoETPxpZQ3O
Name 4-Bromo-3-methoxy-alpha-methylphenethylamine, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.002554806 u
Formula C10H15BrClNO
InChI InChI=1S/C10H14BrNO.ClH/c1-7(12)5-8-3-4-9(11)10(6-8)13-2;/h3-4,6-7H,5,12H2,1-2H3;1H
InChIKey NITOVXGBBNKIJZ-UHFFFAOYSA-N
Molecular Weight 280.593 g/mol
SMILES NC(CC=1C=C(C(=CC1)Br)OC)C.Cl
Spectrum/Structure Validation Score (Raman) 0.915994