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Methyl 2-(1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,4-dioxopteridin-6-ylidene)-2-cyanoacetate
SpectraBase Compound ID 3dYcjqpE1CP
InChI InChI=1S/C12H11N5O4/c1-16-9-8(10(18)17(2)12(16)20)15-7(5-14-9)6(4-13)11(19)21-3/h5,15H,1-3H3/b7-6+
InChIKey WKXPWZPIUMNHIY-VOTSOKGWSA-N
Mol Weight 289.25 g/mol
Molecular Formula C12H11N5O4
Exact Mass 289.081104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgOdOI75aUT
Name Methyl 2-(1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,4-dioxopteridin-6-ylidene)-2-cyanoacetate
Alternate Name(s) Methyl (2E)-cyano(1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-6(2H)-pteridinylidene)ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5O4
InChI InChI=1S/C12H11N5O4/c1-16-9-8(10(18)17(2)12(16)20)15-7(5-14-9)6(4-13)11(19)21-3/h5,15H,1-3H3/b7-6+
InChIKey WKXPWZPIUMNHIY-VOTSOKGWSA-N
Molecular Weight 289.251 g/mol
SMILES N1\C(C=NC2=C1C(N(C(N2C)=O)C)=O)=C\(C(=O)OC)C#N
SPLASH splash10-052k-0590000000-6ebceada6cb353c1bfed
Source of Spectrum O1-32-439-7
Wiley ID 819012