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4-Bromo-2,2-diphenyl-butyronitrile

View entire compound with spectra: 6 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

4-Bromo-2,2-diphenyl-butyronitrile
SpectraBase Compound ID 3aLcBmr1jnA
InChI InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKey IGYSFJHVFHNOEI-UHFFFAOYSA-N
Mol Weight 300.2 g/mol
Molecular Formula C16H14BrN
Exact Mass 299.030962 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LlxIvyPuVep
Name 4-Bromo-2,2-diphenylbutyronitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B65004
CAS Registry Number 39186-58-8
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrN
InChI 1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKey IGYSFJHVFHNOEI-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Bromo-2,2-diphenylbutanenitrile 2,2-Diphenyl-4-bromobutyronitrile
Wiley ID SIAL_13CNMR_010911