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Ethyl 8-methyl-4-oxo-1,4-dihydroquinolin-3-carboxylate

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Ethyl 8-methyl-4-oxo-1,4-dihydroquinolin-3-carboxylate
SpectraBase Compound ID 7aPO70givnP
InChI InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey HYUYDOCMASKUMM-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7t5riGrwFa4
Name Ethyl 8-methyl-4-oxo-1,4-dihydroquinolin-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.089543280 u
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey HYUYDOCMASKUMM-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C=1(C(C2=CC=CC(=C2NC1)C)=O)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897566