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3-amino-1,4,6-triketo-2,5-dimethyl-pyrrolo[3,4-c]pyridine-7-carboxylic acid ethyl ester
SpectraBase Compound ID 9X4mzmlzRDV
InChI InChI=1S/C12H13N3O5/c1-4-20-12(19)7-5-6(8(13)14(2)9(5)16)10(17)15(3)11(7)18/h4,13H2,1-3H3
InChIKey FGVHROXIOGYIPP-UHFFFAOYSA-N
Mol Weight 279.25 g/mol
Molecular Formula C12H13N3O5
Exact Mass 279.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiYLJTEXPuF
Name 3-amino-1,4,6-triketo-2,5-dimethyl-pyrrolo[3,4-c]pyridine-7-carboxylic acid ethyl ester
CAS Registry Number 99747-63-4
Comments Less than 3 mono-isotopic peaks
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Formula C12H13N3O5
InChI InChI=1S/C12H13N3O5/c1-4-20-12(19)7-5-6(8(13)14(2)9(5)16)10(17)15(3)11(7)18/h4,13H2,1-3H3
InChIKey FGVHROXIOGYIPP-UHFFFAOYSA-N
Molecular Weight 279.252 g/mol
SMILES NC1=C2C(=C(C(=O)OCC)C(N(C2=O)C)=O)C(=O)N1C
SPLASH splash10-0a6r-0090000000-38bedd5f9dbe8b1a8ce7
Source of Spectrum J-51-154-13
Synonyms 3-amino-2,5-dimethyl-1,4,6-trioxo-7-pyrrolo[3,4-c]pyridinecarboxylic acid ethyl ester ethyl 3-amino-2,5-dimethyl-1,4,6-trioxo-pyrrolo[3,4-c]pyridine-7-carboxylate ethyl 3-azanyl-2,5-dimethyl-1,4,6-tris(oxidanylidene)pyrrolo[3,4-c]pyridine-7-carboxylate
Wiley ID 1282766