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4-((2,6-dichloropyridin-4-yl)methyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-((2,6-dichloropyridin-4-yl)methyl)benzonitrile
SpectraBase Compound ID 9Aq0LAVEZy
InChI InChI=1S/C13H8Cl2N2/c14-12-6-11(7-13(15)17-12)5-9-1-3-10(8-16)4-2-9/h1-4,6-7H,5H2
InChIKey QKXHDQDGIOGLPZ-UHFFFAOYSA-N
Mol Weight 263.13 g/mol
Molecular Formula C13H8Cl2N2
Exact Mass 262.006454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpMl2vuCofG
Name 4-((2,6-dichloropyridin-4-yl)methyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8Cl2N2
InChI InChI=1S/C13H8Cl2N2/c14-12-6-11(7-13(15)17-12)5-9-1-3-10(8-16)4-2-9/h1-4,6-7H,5H2
InChIKey QKXHDQDGIOGLPZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02380
Molecular Weight 263.127 g/mol
SMILES C(c1ccc(cc1)Cc1cc(nc(c1)Cl)Cl)#N
SPLASH splash10-03dl-1590000000-f83e7666430d2c55bf81
Source of Spectrum A1-17-4396/SM23-2i
Wiley ID 1802331