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1-(4-Bromophenyl)-N-hexyl-1-oxo-propan-2-imine
SpectraBase Compound ID 3I1qX8iz3OJ
InChI InChI=1S/C15H20BrNO/c1-3-4-5-6-11-17-12(2)15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11H2,1-2H3/b17-12+
InChIKey QBCWAVJPMYCYTA-SFQUDFHCSA-N
Mol Weight 310.24 g/mol
Molecular Formula C15H20BrNO
Exact Mass 309.072827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrhwHVb8Ej6
Name 1-(4-Bromophenyl)-N-hexyl-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 309.072827267 u
Formula C15H20BrNO
InChI InChI=1S/C15H20BrNO/c1-3-4-5-6-11-17-12(2)15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11H2,1-2H3/b17-12+
InChIKey QBCWAVJPMYCYTA-SFQUDFHCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.235 g/mol
Nominal Mass 309 u
Quality 897
Retention Index 2052
SMILES C1(C(\C(=N\CCCCCC)C)=O)=CC=C(C=C1)Br
SPLASH splash10-054o-9500000000-6956be6f731821ff28f8
Sample Comments Double bond position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-bromophenyl)-2-(hexylimino)propan-1-one
Technique GC/MS
Wiley ID DD2024_012935