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6-cyano-5-methyl-3-(4-methylphenyl)-7-oxidanyl-4-oxidanylidene-phthalazine-1-carboxylic acid
SpectraBase Compound ID 4c0Yq4tVFxW
InChI InChI=1S/C18H13N3O4/c1-9-3-5-11(6-4-9)21-17(23)15-10(2)13(8-19)14(22)7-12(15)16(20-21)18(24)25/h3-7,22H,1-2H3,(H,24,25)
InChIKey UUPKVWDFYLQOIK-UHFFFAOYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C18H13N3O4
Exact Mass 335.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdCg4NiP43g
Name 6-cyano-5-methyl-3-(4-methylphenyl)-7-oxidanyl-4-oxidanylidene-phthalazine-1-carboxylic acid
Alternate Name(s) 6-cyano-7-hydroxy-4-keto-5-methyl-3-(p-tolyl)phthalazine-1-carboxylic acid 6-cyano-7-hydroxy-5-methyl-3-(4-methylphenyl)-4-oxo-1-phthalazinecarboxylic acid 6-cyano-7-hydroxy-5-methyl-3-(4-methylphenyl)-4-oxophthalazine-1-carboxylic acid 6-cyano-7-hydroxy-5-methyl-4-oxo-3-(p-tolyl)phthalazine-1-carboxylic acid
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Formula C18H13N3O4
InChI InChI=1S/C18H13N3O4/c1-9-3-5-11(6-4-9)21-17(23)15-10(2)13(8-19)14(22)7-12(15)16(20-21)18(24)25/h3-7,22H,1-2H3,(H,24,25)
InChIKey UUPKVWDFYLQOIK-UHFFFAOYSA-N
Molecular Weight 335.319 g/mol
SMILES Oc1cc2c(C(N(N=C2C(=O)O)c2ccc(cc2)C)=O)c(c1C#N)C
SPLASH splash10-0ukc-3491000000-d1abe5468fe5ae965f77
Source of Spectrum SK-31-2580-22
Wiley ID 882179