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4-Isoquinolinecarboxylic acid, 3-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydro-2-methyl-1-oxo-, cis-
SpectraBase Compound ID GafJBrhMnfO
InChI InChI=1S/C19H20N2O3/c1-20(2)13-10-8-12(9-11-13)17-16(19(23)24)14-6-4-5-7-15(14)18(22)21(17)3/h4-11,16-17H,1-3H3,(H,23,24)/t16-,17-/m1/s1
InChIKey LVNXBYWDVONONB-IAGOWNOFSA-N
Mol Weight 324.38 g/mol
Molecular Formula C19H20N2O3
Exact Mass 324.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBX4RhyQl1b
Name 4-Isoquinolinecarboxylic acid, 3-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydro-2-methyl-1-oxo-, cis-
CAS Registry Number 106711-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O3
InChI InChI=1S/C19H20N2O3/c1-20(2)13-10-8-12(9-11-13)17-16(19(23)24)14-6-4-5-7-15(14)18(22)21(17)3/h4-11,16-17H,1-3H3,(H,23,24)/t16-,17-/m1/s1
InChIKey LVNXBYWDVONONB-IAGOWNOFSA-N
Molecular Weight 324.380 g/mol
SMILES OC([C@]1([C@](N(C(c2ccccc12)=O)C)(c1ccc(cc1)N(C)C)[H])[H])=O
SPLASH splash10-03di-0902000000-e4e7a294752570b4ef76
Source of Spectrum J-52-913-0
Synonyms (3S,4R)-3-[4-(dimethylamino)phenyl]-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid cis-N-methyl-3-[p-(dimethylamino)phenyl]-4-carboxy-3,4-dihydro-1(2H)-isoquinolne
Wiley ID 1323338