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4-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-nitrophthalonitrile
SpectraBase Compound ID JgMELGTYETH
InChI InChI=1S/C17H11N3O4/c1-24-15-4-2-11(3-5-15)17(21)8-12-6-13(9-18)14(10-19)7-16(12)20(22)23/h2-7H,8H2,1H3
InChIKey GPOGMEYDHRJAQR-UHFFFAOYSA-N
Mol Weight 321.29 g/mol
Molecular Formula C17H11N3O4
Exact Mass 321.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvKvTsQM8kd
Name 4-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-nitrophthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11N3O4
InChI InChI=1S/C17H11N3O4/c1-24-15-4-2-11(3-5-15)17(21)8-12-6-13(9-18)14(10-19)7-16(12)20(22)23/h2-7H,8H2,1H3
InChIKey GPOGMEYDHRJAQR-UHFFFAOYSA-N
Molecular Weight 321.292 g/mol
SMILES C(c1c(C#N)cc(c(c1)N(=O)=O)CC(=O)c1ccc(cc1)OC)#N
SPLASH splash10-000i-0901000000-7a209a0cb38cd31ee933
Source of Spectrum F-68-5995-5b
Synonyms 4-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile 4-[2-(4-methoxyphenyl)-2-oxo-ethyl]-5-nitro-phthalonitrile 4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5-nitro-benzene-1,2-dicarbonitrile
Wiley ID 1717171