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4-(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SpectraBase Compound ID 9j8KMssy5S3
InChI InChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15-10-16(19)18-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey GAOFITLRMJPSMO-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C16H14N2O
Exact Mass 250.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UUpkzDoz9f
Name 4-(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Alternate Name(s) 4-(4-methylphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one 4-(p-tolyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H14N2O
InChI InChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15-10-16(19)18-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey GAOFITLRMJPSMO-UHFFFAOYSA-N
Molecular Weight 250.301 g/mol
SMILES N1c2c(N=C(CC1=O)c1ccc(cc1)C)cccc2
SPLASH splash10-0a4i-0090000000-09e6f26f835a23fd5937
Source of Spectrum SO-0-447-3
Wiley ID 1543218