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10-Oxo-8-p-tolyl-10H-pyrido[1,2-a]quinoxaline-6,9-dicarbonitrile
SpectraBase Compound ID JD08fM4FTGx
InChI InChI=1S/C21H12N4O/c1-13-6-8-14(9-7-13)15-10-20-18(12-23)24-17-4-2-3-5-19(17)25(20)21(26)16(15)11-22/h2-10H,1H3
InChIKey UABALGSTEAEZPV-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C21H12N4O
Exact Mass 336.101111 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1tuW0fShmvq
Name 8-(4-Methylphenyl)-10-oxopyrido[1,2-A]quinoxaline-6,9-dicarbonitrile
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 336.101111021 u
Formula C21H12N4O
InChI InChI=1S/C21H12N4O/c1-13-6-8-14(9-7-13)15-10-20-18(12-23)24-17-4-2-3-5-19(17)25(20)21(26)16(15)11-22/h2-10H,1H3
InChIKey UABALGSTEAEZPV-UHFFFAOYSA-N
Molecular Weight 336.354 g/mol
SMILES CC1=CC=C(C=2C=C3N(C=4C(=CC=CC4)N=C3C#N)C(=O)C2C#N)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820444