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4-[2-(4-Methylphenyl)-2-oxoethyl]-5-nitrophthalonitrile
SpectraBase Compound ID DazJc5nnwzP
InChI InChI=1S/C17H11N3O3/c1-11-2-4-12(5-3-11)17(21)8-13-6-14(9-18)15(10-19)7-16(13)20(22)23/h2-7H,8H2,1H3
InChIKey DKEQSAWEFUOXIA-UHFFFAOYSA-N
Mol Weight 305.29 g/mol
Molecular Formula C17H11N3O3
Exact Mass 305.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzuSDX5slhQ
Name 4-[2-(4-Methylphenyl)-2-oxoethyl]-5-nitrophthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11N3O3
InChI InChI=1S/C17H11N3O3/c1-11-2-4-12(5-3-11)17(21)8-13-6-14(9-18)15(10-19)7-16(13)20(22)23/h2-7H,8H2,1H3
InChIKey DKEQSAWEFUOXIA-UHFFFAOYSA-N
Molecular Weight 305.293 g/mol
SMILES C(c1c(C#N)cc(c(c1)N(=O)=O)CC(=O)c1ccc(cc1)C)#N
SPLASH splash10-014i-3901000000-be7a2bcbeb25e4763093
Source of Spectrum F-68-5995-5a
Synonyms 4-[2-(4-Methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile 4-Nitro-5-[2-oxo-2-(p-tolyl)ethyl]phthalonitrile 4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-nitro-benzene-1,2-dicarbonitrile
Wiley ID 1717172