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N,N-Dibenzyl-2-bromo-4,5-dimethoxyamphetamine
SpectraBase Compound ID 1pKa5WOA6Xf
InChI InChI=1S/C25H28BrNO2/c1-19(14-22-15-24(28-2)25(29-3)16-23(22)26)27(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19H,14,17-18H2,1-3H3
InChIKey CMRCYJITQPBGDA-UHFFFAOYSA-N
Mol Weight 454.41 g/mol
Molecular Formula C25H28BrNO2
Exact Mass 453.130342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGh7l61L1Gq
Name N,N-Dibenzyl-2-bromo-4,5-dimethoxyamphetamine
Classification Amphetamine designer drug, stimulant, hallucinogenic
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 453.130342144 u
Formula C25H28BrNO2
InChI InChI=1S/C25H28BrNO2/c1-19(14-22-15-24(28-2)25(29-3)16-23(22)26)27(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19H,14,17-18H2,1-3H3
InChIKey CMRCYJITQPBGDA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 454.408 g/mol
Nominal Mass 453 u
Quality 998
Retention Index 3059
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)CC(N(CC=1C=CC=CC1)CC1=CC=CC=C1)C
SPLASH splash10-00dl-7290000000-117abd679b02dd0a736c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Amphetamine,N,N-dibenzyl-2-bromo-4,5-dimethoxy N,N-dibenzyl-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
Technique GC/MS
Wiley ID DD2024_009094