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MANSOURAMYCIN_C;3-CARBOMETHOXY-7-METHYLAMINOISOQUINOLINE-5,8-DIONE
SpectraBase Compound ID 3Gwo5YSEYQ
InChI InChI=1S/C12H10N2O4/c1-13-8-4-10(15)6-3-9(12(17)18-2)14-5-7(6)11(8)16/h3-5,13H,1-2H3
InChIKey PQDLBACRSRBAGV-UHFFFAOYSA-N
Mol Weight 246.22 g/mol
Molecular Formula C12H10N2O4
Exact Mass 246.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHdlloLUxfN
Name 3-carbomethoxy-7-methylaminoisoquinoline-5,8-dione
Appearance Dark red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O4
InChI InChI=1S/C12H10N2O4/c1-13-8-4-10(15)6-3-9(12(17)18-2)14-5-7(6)11(8)16/h3-5,13H,1-2H3
InChIKey PQDLBACRSRBAGV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np900160g
Molecular Weight 246.222 g/mol
Reported Formula C12H10N2O4
SMILES N(C1=CC(c2c(C1=O)cnc(c2)C(=O)OC)=O)C
SPLASH splash10-001i-9000000000-95651a713dcf202ec478
Source of Spectrum G4-72-2123-4
Synonyms Mansouramycin C
Thin-Layer Chromatography Rf = 0.55 (5% MeOH/CH2Cl2)
Wiley ID 1872107