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Phenacyl bromide
SpectraBase Compound ID C36ciK5Q02s
InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey LIGACIXOYTUXAW-UHFFFAOYSA-N
Mol Weight 199.05 g/mol
Molecular Formula C8H7BrO
Exact Mass 197.968028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FluWPP6rj6
Name 2-Bromo-1-phenylethanone
CAS Registry Number 70-11-1
Classification Lacrimator
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 197.968027844 u
Formula C8H7BrO
InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey LIGACIXOYTUXAW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 199.047 g/mol
Nominal Mass 198 u
Quality 982
Retention Index 1269
SMILES C=1(C(CBr)=O)C=CC=CC1
SPLASH splash10-0a4i-9500000000-6ab9cbb36127953663f7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Bromoacetophenone Bromoacetophenone Phenacyl bromide 2-bromo-1-phenyl-ethanone
Technique GC/MS
Wiley ID DD2024_032444