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3-(bromomethyl)-5-nitrobenzonitrile
SpectraBase Compound ID LRpOVYbNmCO
InChI InChI=1S/C8H5BrN2O2/c9-4-6-1-7(5-10)3-8(2-6)11(12)13/h1-3H,4H2
InChIKey YNLYYMGYADSKPU-UHFFFAOYSA-N
Mol Weight 241.04 g/mol
Molecular Formula C8H5BrN2O2
Exact Mass 239.95344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dqXb2HNCBY
Name 3-(bromomethyl)-5-nitrobenzonitrile
Alternate Name(s) 3-(bromomethyl)-5-nitro-benzenecarbonitrile
CAS Registry Number 124289-26-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5BrN2O2
InChI InChI=1S/C8H5BrN2O2/c9-4-6-1-7(5-10)3-8(2-6)11(12)13/h1-3H,4H2
InChIKey YNLYYMGYADSKPU-UHFFFAOYSA-N
Molecular Weight 241.044 g/mol
SMILES c1(N(=O)=O)cc(C#N)cc(c1)CBr
SPLASH splash10-03di-0900000000-dac83beef01c25493ba7
Source of Spectrum J-55-1043-8
Wiley ID 1242309