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MANSOURAMYCIN_A;7-METHYLAMINO-3,4-DIMETHYLISOQUINOLINE-5,8-DIONE
SpectraBase Compound ID CgXH3nFDeCn
InChI InChI=1S/C12H12N2O2/c1-6-7(2)14-5-8-11(6)10(15)4-9(13-3)12(8)16/h4-5,13H,1-3H3
InChIKey SDLNCVBYFYLESJ-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6RK4HdeqBd
Name 7-methylamino-3,4-dimethylisoquinoline-5,8-dione
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-6-7(2)14-5-8-11(6)10(15)4-9(13-3)12(8)16/h4-5,13H,1-3H3
InChIKey SDLNCVBYFYLESJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np900160g
Molecular Weight 216.240 g/mol
Reported Formula C12H12N2O2
SMILES N(C1=CC(c2c(C1=O)cnc(c2C)C)=O)C
SPLASH splash10-014i-2290000000-38b29195bea1291970cb
Source of Spectrum G4-72-2123-1
Synonyms Mansouramycin A
Thin-Layer Chromatography Rf = 0.60 (5% MeOH/CH2Cl2), Rf = 0.11 (40% EtOAc/cHex)
Wiley ID 1872106