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5-Cyano-3,10-dimethyl-pyrimido[4,5-b]quinolin-2,4(3H,10H)-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Cyano-3,10-dimethyl-pyrimido[4,5-b]quinolin-2,4(3H,10H)-dione
SpectraBase Compound ID 8TMmSKDfWWv
InChI InChI=1S/C14H10N4O2/c1-17-10-6-4-3-5-8(10)9(7-15)11-12(17)16-14(20)18(2)13(11)19/h3-6H,1-2H3
InChIKey GPYHOAYHOKAALO-UHFFFAOYSA-N
Mol Weight 266.26 g/mol
Molecular Formula C14H10N4O2
Exact Mass 266.080376 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BYkJMdEYVUo
Name 5-Cyano-3,10-dimethyl-pyrimido[4,5-B]quinolin-2,4(3H,10H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.080375576 u
Formula C14H10N4O2
InChI InChI=1S/C14H10N4O2/c1-17-10-6-4-3-5-8(10)9(7-15)11-12(17)16-14(20)18(2)13(11)19/h3-6H,1-2H3
InChIKey GPYHOAYHOKAALO-UHFFFAOYSA-N
SMILES C=12N(C=3C=CC=CC3C(=C2C(N(C(N1)=O)C)=O)C#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94462