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4-[(4-Chlorophenyl)cyanomethyl]-5-nitrophthalonitrile
SpectraBase Compound ID JW1IFJrjITU
InChI InChI=1S/C16H7ClN4O2/c17-13-3-1-10(2-4-13)15(9-20)14-5-11(7-18)12(8-19)6-16(14)21(22)23/h1-6,15H
InChIKey BYRIDHGBUMQLNL-UHFFFAOYSA-N
Mol Weight 322.71 g/mol
Molecular Formula C16H7ClN4O2
Exact Mass 322.025753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyHb1ooc27l
Name 4-[(4-Chlorophenyl)cyanomethyl]-5-nitrophthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7ClN4O2
InChI InChI=1S/C16H7ClN4O2/c17-13-3-1-10(2-4-13)15(9-20)14-5-11(7-18)12(8-19)6-16(14)21(22)23/h1-6,15H
InChIKey BYRIDHGBUMQLNL-UHFFFAOYSA-N
Molecular Weight 322.711 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)C#N)C#N)C(C#N)c1ccc(cc1)Cl
SPLASH splash10-0fr6-1191000000-f72d36950c2a7cf40930
Source of Spectrum HC-48-432-3c
Synonyms 4-((4-chlorophenyl)(cyano)methyl)-5-nitrophthalonitrile 4-[(4-chlorophenyl)-cyanomethyl]-5-nitrobenzene-1,2-dicarbonitrile 4-[(4-chlorophenyl)-cyano-methyl]-5-nitro-benzene-1,2-dicarbonitrile
Wiley ID 1739233