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(3S,4R)-1-keto-3-(4-nitrophenyl)-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID 8enjjSsYm3q
InChI InChI=1S/C23H18N2O5/c1-14-6-10-16(11-7-14)24-21(15-8-12-17(13-9-15)25(29)30)20(23(27)28)18-4-2-3-5-19(18)22(24)26/h2-13,20-21H,1H3,(H,27,28)/t20-,21-/m1/s1
InChIKey KCOUGRAWYMIVBW-NHCUHLMSSA-N
Mol Weight 402.41 g/mol
Molecular Formula C23H18N2O5
Exact Mass 402.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpkjndxHZKn
Name (3S,4R)-1-keto-3-(4-nitrophenyl)-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid
Alternate Name(s) (3S,4R)-2-(4-methylphenyl)-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4R)-2-(4-methylphenyl)-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4R)-3-(4-nitrophenyl)-1-oxo-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid
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Formula C23H18N2O5
InChI InChI=1S/C23H18N2O5/c1-14-6-10-16(11-7-14)24-21(15-8-12-17(13-9-15)25(29)30)20(23(27)28)18-4-2-3-5-19(18)22(24)26/h2-13,20-21H,1H3,(H,27,28)/t20-,21-/m1/s1
InChIKey KCOUGRAWYMIVBW-NHCUHLMSSA-N
Molecular Weight 402.406 g/mol
SMILES OC([C@]1([C@](N(C(c2ccccc12)=O)c1ccc(cc1)C)(c1ccc(N(=O)=O)cc1)[H])[H])=O
SPLASH splash10-0a4l-8942000000-03d747a319f1011499ff
Source of Spectrum O1-63-2016-3
Wiley ID 1592801