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3-(4'-Chloroanilino)-3-(4''-pyridyl)propionitrile
SpectraBase Compound ID 4Sbjtf43yuz
InChI InChI=1S/C14H12ClN3/c15-12-1-3-13(4-2-12)18-14(5-8-16)11-6-9-17-10-7-11/h1-4,6-7,9-10,14,18H,5H2
InChIKey QNNFFUBPJXADGJ-UHFFFAOYSA-N
Mol Weight 257.72 g/mol
Molecular Formula C14H12ClN3
Exact Mass 257.071975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6bh8OKHYZ0
Name 3-(4'-Chloroanilino)-3-(4''-pyridyl)propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12ClN3
InChI InChI=1S/C14H12ClN3/c15-12-1-3-13(4-2-12)18-14(5-8-16)11-6-9-17-10-7-11/h1-4,6-7,9-10,14,18H,5H2
InChIKey QNNFFUBPJXADGJ-UHFFFAOYSA-N
Molecular Weight 257.724 g/mol
SMILES N(C(CC#N)c1ccncc1)c1ccc(cc1)Cl
SPLASH splash10-014i-0190000000-d3c9735e38c4ad935080
Source of Spectrum U-1996-1473-3
Synonyms 3-(4-Chloroanilino)-3-(4-pyridinyl)propanenitrile
Wiley ID 768732