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2-Bromo-4,5-dimethoxyamphetamine pent

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

2-Bromo-4,5-dimethoxyamphetamine pent
SpectraBase Compound ID Eih00xEXlis
InChI InChI=1S/C16H24BrNO3/c1-5-6-7-16(19)18-11(2)8-12-9-14(20-3)15(21-4)10-13(12)17/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKey HIBFFKZVAZKAPE-UHFFFAOYSA-N
Mol Weight 358.28 g/mol
Molecular Formula C16H24BrNO3
Exact Mass 357.093957 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DEdrweRvn35
Name 2-Bromo-4,5-dimethoxyamphetamine pent
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.093956634 u
Formula C16H24BrNO3
InChI InChI=1S/C16H24BrNO3/c1-5-6-7-16(19)18-11(2)8-12-9-14(20-3)15(21-4)10-13(12)17/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKey HIBFFKZVAZKAPE-UHFFFAOYSA-N
Molecular Weight 358.276 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)CC(NC(CCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93893