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2,2-Dibromo-1-(3,4-methylenedioxyphenyl)ethanone
SpectraBase Compound ID JBec4UJbX12
InChI InChI=1S/C9H6Br2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,9H,4H2
InChIKey LSCBWWHYKHBDSF-UHFFFAOYSA-N
Mol Weight 321.95 g/mol
Molecular Formula C9H6Br2O3
Exact Mass 319.86837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkBjSLgYcb2
Name 2,2-Dibromo-1-(3,4-methylenedioxyphenyl)ethanone
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 319.868370050 u
Formula C9H6Br2O3
InChI InChI=1S/C9H6Br2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,9H,4H2
InChIKey LSCBWWHYKHBDSF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 321.952 g/mol
Nominal Mass 320 u
Quality 976
Retention Index 2002
SMILES C1=2C(=CC=C(C(C(Br)Br)=O)C2)OCO1
SPLASH splash10-0002-9700000000-f391904f4418783f3ac4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(1,3-benzodioxol-5-yl)-2,2-dibromoethan-1-one
Technique GC/MS
Wiley ID DD2024_000883