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4-(bromochlorofluoromethyl)-3-methylbenzonitrile
SpectraBase Compound ID 5b2dUssw2e1
InChI InChI=1S/C9H6BrClFN/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
InChIKey DBMSBFYMRXBMNF-UHFFFAOYSA-N
Mol Weight 262.51 g/mol
Molecular Formula C9H6BrClFN
Exact Mass 260.935618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AbAAFjtjXq
Name 4-(bromochlorofluoromethyl)-3-methylbenzonitrile
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6BrClFN
InChI InChI=1S/C9H6BrClFN/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
InChIKey DBMSBFYMRXBMNF-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 262.509 g/mol
SMILES c1cc(c(cc1C#N)C)C(Br)(F)Cl
SPLASH splash10-001i-0900000000-b2de608f54f9a0069cbc
Source of Spectrum JP2015168641A
Wiley ID 1852672