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(4aS,8aR)-4-p-Tolyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
SpectraBase Compound ID EScTeWjxWpF
InChI InChI=1S/C15H18N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h6-9,12-13H,2-5H2,1H3,(H,17,18)/t12-,13+/m0/s1
InChIKey CAGGMZIQVSXHRG-QWHCGFSZSA-N
Mol Weight 242.32 g/mol
Molecular Formula C15H18N2O
Exact Mass 242.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5GnOz40wE1
Name (4aS,8aR)-4-p-Tolyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H18N2O
InChI InChI=1S/C15H18N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h6-9,12-13H,2-5H2,1H3,(H,17,18)/t12-,13+/m0/s1
InChIKey CAGGMZIQVSXHRG-QWHCGFSZSA-N
Molecular Weight 242.322 g/mol
SMILES N1C([C@@]2(CCCC[C@@]2(C(=N1)c1ccc(cc1)C)[H])[H])=O
SPLASH splash10-000f-0890000000-5912ebacefa3a203c29a
Source of Spectrum H1-36-1818-3
Synonyms cis-4a,5,6,7,8,8a-Hexahydro-4-(p-tolyl)phthalazin-1(2H)-one (4aS,8aR) 4-(p-Methylphenyl)-hexahydro-1(2H)-phthalazinone (4aS,8aR)-4-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone 4-(p-Methylphenyl)-hexahydro-1(2H)-phthalazinone (4aS,8aR)-4-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
Wiley ID 755267