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5-Methoxy-6-methyl-7,8-bis(oxidanylidene)isoquinoline-1-carbonitrile
SpectraBase Compound ID EHnGa6jKzSE
InChI InChI=1S/C12H8N2O3/c1-6-10(15)11(16)9-7(12(6)17-2)3-4-14-8(9)5-13/h3-4H,1-2H3
InChIKey XANWGJCUAGZBFE-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H8N2O3
Exact Mass 228.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tDPv0qzc55
Name 5-Methoxy-6-methyl-7,8-bis(oxidanylidene)isoquinoline-1-carbonitrile
Alternate Name(s) 5-Methoxy-6-methyl-7,8-dioxo-1-isoquinolinecarbonitrile 5-Methoxy-6-methyl-7,8-dioxo-isoquinoline-1-carbonitrile 7,8-Diketo-5-methoxy-6-methyl-isoquinoline-1-carbonitrile
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Formula C12H8N2O3
InChI InChI=1S/C12H8N2O3/c1-6-10(15)11(16)9-7(12(6)17-2)3-4-14-8(9)5-13/h3-4H,1-2H3
InChIKey XANWGJCUAGZBFE-UHFFFAOYSA-N
Molecular Weight 228.207 g/mol
SMILES c1(nccc2C(=C(C(C(c12)=O)=O)C)OC)C#N
SPLASH splash10-0f79-0790000000-628493d65e870d1da0e3
Source of Spectrum E1-39-2259-19
Wiley ID 1518996