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3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-propionic acid ethyl ester
SpectraBase Compound ID DUJRDylU3Bv
InChI InChI=1S/C12H12N2O4/c1-2-18-9(15)5-7-14-11(16)8-4-3-6-13-10(8)12(14)17/h3-4,6H,2,5,7H2,1H3
InChIKey YXUVFESRDKKQIB-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Q4rDWtzgUF
Name 3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-propionic acid ethyl ester
Alternate Name(s) N-[2-(Ethoxycarbonyl)ethyl]-2,3-pyridinedicarboximide
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-2-18-9(15)5-7-14-11(16)8-4-3-6-13-10(8)12(14)17/h3-4,6H,2,5,7H2,1H3
InChIKey YXUVFESRDKKQIB-UHFFFAOYSA-N
Molecular Weight 248.238 g/mol
SMILES C1(N(C(c2ncccc12)=O)CCC(=O)OCC)=O
SPLASH splash10-0a4i-9000000000-948a278051a1aa2d6db1
Source of Spectrum F4-43-575-3d
Wiley ID 1675426