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2,3-Dimethoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzoic acid
SpectraBase Compound ID IhkTwgeKuR9
InChI InChI=1S/C12H12N4O4/c1-19-9-4-3-8(5-15-16-6-13-14-7-16)10(12(17)18)11(9)20-2/h3-7H,1-2H3,(H,17,18)/b15-5+
InChIKey GMOVNKWFDBRXGF-PJQLUOCWSA-N
Mol Weight 276.25 g/mol
Molecular Formula C12H12N4O4
Exact Mass 276.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXcMrGsaXzA
Name 2,3-Dimethoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzoic acid
Alternate Name(s) 2,3-Dimethoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-
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Formula C12H12N4O4
InChI InChI=1S/C12H12N4O4/c1-19-9-4-3-8(5-15-16-6-13-14-7-16)10(12(17)18)11(9)20-2/h3-7H,1-2H3,(H,17,18)/b15-5+
InChIKey GMOVNKWFDBRXGF-PJQLUOCWSA-N
Molecular Weight 276.252 g/mol
SMILES OC(c1c(c(OC)ccc1\C=N\[n]1cnnc1)OC)=O
SPLASH splash10-0006-7900000000-2b5347146d168276ec58
Wiley ID 1440660