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2-oxo-5-Phenyl-4-(4-tolyl)-1,2-dihydro-5H-indeno[1,2-D]pyrimidine

View entire compound with spectra: 1 FTIR

2-oxo-5-Phenyl-4-(4-tolyl)-1,2-dihydro-5H-indeno[1,2-D]pyrimidine
SpectraBase Compound ID 2serJEjOR0X
InChI InChI=1S/C24H18N2O/c1-15-11-13-17(14-12-15)22-21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23(21)26-24(27)25-22/h2-14,20H,1H3,(H,25,26,27)
InChIKey JKTYRTLRVAJNQL-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C24H18N2O
Exact Mass 350.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EQ3mpnF4anQ
Name 2-oxo-5-Phenyl-4-(4-tolyl)-1,2-dihydro-5H-indeno[1,2-D]pyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.141913207 u
Formula C24H18N2O
InChI InChI=1S/C24H18N2O/c1-15-11-13-17(14-12-15)22-21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)23(21)26-24(27)25-22/h2-14,20H,1H3,(H,25,26,27)
InChIKey JKTYRTLRVAJNQL-UHFFFAOYSA-N
Molecular Weight 350.421 g/mol
SMILES C1=CC=CC2=C1C(C1=CC=CC=C1)C1=C2NC(N=C1C1=CC=C(C=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839875