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alpha-Bromo-o-tolunitrile

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

alpha-Bromo-o-tolunitrile
SpectraBase Compound ID 1q9S7KLqdd4
InChI InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
InChIKey QGXNHCXKWFNKCG-UHFFFAOYSA-N
Mol Weight 196.05 g/mol
Molecular Formula C8H6BrN
Exact Mass 194.968362 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IzDnMYqUSKM
Name 2-(Bromomethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 144711
CAS Registry Number 22115-41-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrN
InChI InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
InChIKey QGXNHCXKWFNKCG-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Bromo-o-tolunitrile 2-Cyanobenzyl bromide
Wiley ID SIAL_13CNMR_001307