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3-Bromobenzonitrile
SpectraBase Compound ID CCiBucNhmmA
InChI InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey STXAVEHFKAXGOX-UHFFFAOYSA-N
Mol Weight 182.02 g/mol
Molecular Formula C7H4BrN
Exact Mass 180.952712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekx8G3F0S
Name 3-Bromobenzonitrile
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.952712133 u
Formula C7H4BrN
InChI InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey STXAVEHFKAXGOX-UHFFFAOYSA-N
Instrument Name Agilent 5977B
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202103669
Molecular Weight 182.020 g/mol
Quality 362
SMILES C=1(Br)C=C(C=CC1)C#N
SPLASH splash10-0f89-1900000000-ebec3f74f00258a7c215
Source of Spectrum QE-28-SM36-2y (DOI: 10.1002/chem.202103669)
Wiley ID 1898374