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(3S,4S)-1-keto-2-methyl-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID 4v3w70Db6ZG
InChI InChI=1S/C18H17NO3/c1-11-7-9-12(10-8-11)16-15(18(21)22)13-5-3-4-6-14(13)17(20)19(16)2/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChIKey KQLRZLODBQZMDS-JKSUJKDBSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kUSj4uUTIj
Name (3S,4S)-1-keto-2-methyl-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid
Alternate Name(s) (3S,4S)-2-methyl-1-oxo-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4S)-2-methyl-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid (3S,4S)-2-methyl-3-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
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Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-11-7-9-12(10-8-11)16-15(18(21)22)13-5-3-4-6-14(13)17(20)19(16)2/h3-10,15-16H,1-2H3,(H,21,22)/t15-,16+/m0/s1
InChIKey KQLRZLODBQZMDS-JKSUJKDBSA-N
Molecular Weight 295.338 g/mol
SMILES OC([C@@]1([C@](N(C(c2ccccc12)=O)C)(c1ccc(cc1)C)[H])[H])=O
SPLASH splash10-001i-1910000000-f02e0fd71ce14e6bbf45
Source of Spectrum J-52-912-0
Wiley ID 1298312