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3,4-Dichlorophenylacetonitrile

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, and 1 MS (GC)

3,4-Dichlorophenylacetonitrile
SpectraBase Compound ID 8P9BfzYMv8l
InChI InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey QWZNCAFWRZZJMA-UHFFFAOYSA-N
Mol Weight 186.04 g/mol
Molecular Formula C8H5Cl2N
Exact Mass 184.979905 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JcsjwctRNki
Name 3,4-Dichlorophenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 232475
CAS Registry Number 3218-49-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5Cl2N
InChI InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChIKey QWZNCAFWRZZJMA-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,4-Dichlorobenzyl cyanide
Wiley ID SIAL_13CNMR_003589