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1-(4-Bromophenyl)-N-butyl-1-oxo-propan-2-imine
SpectraBase Compound ID KX0ANK04OmT
InChI InChI=1S/C13H16BrNO/c1-3-4-9-15-10(2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9H2,1-2H3/b15-10+
InChIKey ZWPBJDVUAWIHTP-XNTDXEJSSA-N
Mol Weight 282.18 g/mol
Molecular Formula C13H16BrNO
Exact Mass 281.041527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FAPHMZpnNI
Name 1-(4-Bromophenyl)-N-butyl-1-oxo-propan-2-imine
Classification Cathinone analog designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.041527138 u
Formula C13H16BrNO
InChI InChI=1S/C13H16BrNO/c1-3-4-9-15-10(2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9H2,1-2H3/b15-10+
InChIKey ZWPBJDVUAWIHTP-XNTDXEJSSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 282.181 g/mol
Nominal Mass 281 u
Quality 979
Retention Index 1843
SMILES C1(C(\C(=N\CCCC)C)=O)=CC=C(C=C1)Br
SPLASH splash10-052g-9200000000-10a5bcfe4899fe7fe79c
Sample Comments Double bond position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-bromophenyl)-2-(butylimino)propan-1-one
Technique GC/MS
Wiley ID DD2024_012928