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4-(4-methylphenyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-(4-methylphenyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinone
SpectraBase Compound ID 2N40nyf1joe
InChI InChI=1S/C15H16N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKey LYSYBTOKVNYKME-UHFFFAOYSA-N
Mol Weight 240.31 g/mol
Molecular Formula C15H16N2O
Exact Mass 240.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID nKbIrTOkgn
Name 4-(4-Methylphenyl)-5,6,7,8-tetrahydro-1(2H)-phthalazinone
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 240.126263142 u
Formula C15H16N2O
InChI InChI=1S/C15H16N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h6-9H,2-5H2,1H3,(H,17,18)
InChIKey LYSYBTOKVNYKME-UHFFFAOYSA-N
Molecular Weight 240.306 g/mol
SMILES C1(=NNC(C=2CCCCC12)=O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871849