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Methyl 2,5-dioxo-1H,6H,7H-cyclopenta[B]pyridine-3-carboxylate

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Methyl 2,5-dioxo-1H,6H,7H-cyclopenta[B]pyridine-3-carboxylate
SpectraBase Compound ID KofTCEREIXC
InChI InChI=1S/C10H9NO4/c1-15-10(14)6-4-5-7(11-9(6)13)2-3-8(5)12/h4H,2-3H2,1H3,(H,11,13)
InChIKey NCAZOGCLVUEALE-UHFFFAOYSA-N
Mol Weight 207.18 g/mol
Molecular Formula C10H9NO4
Exact Mass 207.053158 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4O3xZw4HYIt
Name Methyl 2,5-dioxo-1H,6H,7H-cyclopenta[B]pyridine-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.053157770 u
Formula C10H9NO4
InChI InChI=1S/C10H9NO4/c1-15-10(14)6-4-5-7(11-9(6)13)2-3-8(5)12/h4H,2-3H2,1H3,(H,11,13)
InChIKey NCAZOGCLVUEALE-UHFFFAOYSA-N
Molecular Weight 207.185 g/mol
SMILES C=1(C(NC2=C(C1)C(CC2)=O)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804