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Propanedinitrile, (2,3-dihydro-1,3-dioxo-4(1H)-isoquinolinylidene)-
SpectraBase Compound ID 9lpfSoB6fxE
InChI InChI=1S/C12H5N3O2/c13-5-7(6-14)10-8-3-1-2-4-9(8)11(16)15-12(10)17/h1-4H,(H,15,16,17)
InChIKey GQNUWEDAFLTLSB-UHFFFAOYSA-N
Mol Weight 223.19 g/mol
Molecular Formula C12H5N3O2
Exact Mass 223.038176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tFqr1Du7xP
Name Propanedinitrile, (2,3-dihydro-1,3-dioxo-4(1H)-isoquinolinylidene)-
CAS Registry Number 129764-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5N3O2
InChI InChI=1S/C12H5N3O2/c13-5-7(6-14)10-8-3-1-2-4-9(8)11(16)15-12(10)17/h1-4H,(H,15,16,17)
InChIKey GQNUWEDAFLTLSB-UHFFFAOYSA-N
Molecular Weight 223.191 g/mol
SMILES N1C(c2c(C(C1=O)=C(C#N)C#N)cccc2)=O
SPLASH splash10-0fka-0940000000-5ca3a23cb5ebd6874bcb
Source of Spectrum AH-121-191-3
Synonyms 2-(1,3-dioxo-2,3-dihydro-4(1H)-isoquinolinylidene)malononitrile 4-(dicyanomethylene)-1,2,3,4-tetrahydroisoquinoline-2,3-dione
Wiley ID 1223946