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7-Chloro-1,3-dimethylpyrimido[4,5-B]quinoline-2,4,5(1H,3H,10H)-trione

View entire compound with spectra: 1 FTIR

7-Chloro-1,3-dimethylpyrimido[4,5-B]quinoline-2,4,5(1H,3H,10H)-trione
SpectraBase Compound ID 2nGp2ZnvcW0
InChI InChI=1S/C13H10ClN3O3/c1-16-11-9(12(19)17(2)13(16)20)10(18)7-5-6(14)3-4-8(7)15-11/h3-5H,1-2H3,(H,15,18)
InChIKey UZHATRVJVPLHEV-UHFFFAOYSA-N
Mol Weight 291.69 g/mol
Molecular Formula C13H10ClN3O3
Exact Mass 291.041069 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID lmgCRFkpU2
Name 7-Chloro-1,3-dimethylpyrimido[4,5-B]quinoline-2,4,5(1H,3H,10H)-trione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.041068891 u
Formula C13H10ClN3O3
InChI InChI=1S/C13H10ClN3O3/c1-16-11-9(12(19)17(2)13(16)20)10(18)7-5-6(14)3-4-8(7)15-11/h3-5H,1-2H3,(H,15,18)
InChIKey UZHATRVJVPLHEV-UHFFFAOYSA-N
SMILES C12=C(C(C3=C(N2)N(C(N(C3=O)C)=O)C)=O)C=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971127