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2-Chloro-6-fluorophenylacetonitrile

View entire compound with spectra: 6 NMR, 3 FTIR, and 2 Raman

2-Chloro-6-fluorophenylacetonitrile
SpectraBase Compound ID EBKrpeWF8Ec
InChI InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChIKey ZGSAFMIRVLOISC-UHFFFAOYSA-N
Mol Weight 169.59 g/mol
Molecular Formula C8H5ClFN
Exact Mass 169.009455 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BBqAEsfx1Kx
Name 2-Chloro-6-fluorophenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 218146
CAS Registry Number 75279-55-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5ClFN
InChI InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChIKey ZGSAFMIRVLOISC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Chloro-6-fluorobenzyl cyanide
Wiley ID SIAL_13CNMR_003134