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4-Bromo-benzonitrile
SpectraBase Compound ID Id6bkzGb8ig
InChI InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey HQSCPPCMBMFJJN-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 5xw3Pl96RdB
Name 4-Bromobenzonitrile
Appearance Off-white powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.952712133 u
Formula C7H4BrN
InChI InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey HQSCPPCMBMFJJN-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 327
SMILES C=1(Br)C=CC(C#N)=CC1
SPLASH splash10-0f89-1900000000-1253dd0f3e66ad9e9e7f
Source of Spectrum QE-28-SM33-2l (DOI: 10.1002/chem.202103669)
Wiley ID 1898364