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5-(bromomethyl)benzene-1,3-dicarbonitrile
SpectraBase Compound ID 2Y2v00qfhLg
InChI InChI=1S/C9H5BrN2/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4H2
InChIKey WQHQCMNEJVAMGY-UHFFFAOYSA-N
Mol Weight 221.06 g/mol
Molecular Formula C9H5BrN2
Exact Mass 219.963611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98flFkRaBAh
Name 5-(bromomethyl)benzene-1,3-dicarbonitrile
Alternate Name(s) 5-(Bromomethyl)isophthalonitrile
CAS Registry Number 124289-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5BrN2
InChI InChI=1S/C9H5BrN2/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4H2
InChIKey WQHQCMNEJVAMGY-UHFFFAOYSA-N
Molecular Weight 221.057 g/mol
SMILES C(#N)c1cc(C#N)cc(c1)CBr
SPLASH splash10-0006-0900000000-8c6b888807546f6f91c3
Source of Spectrum J-55-1043-8
Wiley ID 1219301