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2-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)amino]-4-(methylthio)butanoic acid
SpectraBase Compound ID LmcVdsPGpxf
InChI InChI=1S/C20H24N2O2S/c1-20(2)12-16-14-7-5-4-6-13(14)8-9-15(16)18(22-20)21-17(19(23)24)10-11-25-3/h4-9,17H,10-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKey UEDSXOZPVBHISN-UHFFFAOYSA-N
Mol Weight 356.48 g/mol
Molecular Formula C20H24N2O2S
Exact Mass 356.155849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B22i035dlAW
Name 2-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)amino]-4-(methylthio)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O2S
InChI InChI=1S/C20H24N2O2S/c1-20(2)12-16-14-7-5-4-6-13(14)8-9-15(16)18(22-20)21-17(19(23)24)10-11-25-3/h4-9,17H,10-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKey UEDSXOZPVBHISN-UHFFFAOYSA-N
Molecular Weight 356.484 g/mol
SMILES N(C1=NC(C)(C)Cc2c1ccc1ccccc21)C(C(=O)O)CCSC
SPLASH splash10-01t9-4590000000-2fd2180bde619d6235fc
Synonyms 2-[(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)amino]-4-methylsulfanyl-butanoic acid 2-[(2,2-dimethyl-1H-benz[f]isoquinolin-4-yl)amino]-4-(methylthio)butyric acid
Wiley ID 1452928