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N-(3-Bromobenzyl)aniline
SpectraBase Compound ID IvEK0ZvUCpk
InChI InChI=1S/C13H12BrN/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKey HZOHLHAAYWQJMD-UHFFFAOYSA-N
Mol Weight 262.15 g/mol
Molecular Formula C13H12BrN
Exact Mass 261.015312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ij10JIK4Lw
Name N-(3-Bromobenzyl)aniline
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 261.015312390 u
Formula C13H12BrN
InChI InChI=1S/C13H12BrN/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKey HZOHLHAAYWQJMD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 262.150 g/mol
Nominal Mass 261 u
Quality 936
Retention Index 2022
SMILES C=1(NCC2=CC(=CC=C2)Br)C=CC=CC1
SPLASH splash10-03di-4890000000-c8317965731d78780d3f
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_027943