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5H-Pyrido[4,3-b]indole-1,3,4-tricarboxylic acid, 1-ethyl 3,4-dimethyl ester
SpectraBase Compound ID 1fef4yGomrE
InChI InChI=1S/C18H16N2O6/c1-4-26-18(23)14-11-9-7-5-6-8-10(9)19-13(11)12(16(21)24-2)15(20-14)17(22)25-3/h5-8,19H,4H2,1-3H3
InChIKey SUGZDEVQGRSRAL-UHFFFAOYSA-N
Mol Weight 356.33 g/mol
Molecular Formula C18H16N2O6
Exact Mass 356.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0UjVKxlN3w
Name 5H-Pyrido[4,3-b]indole-1,3,4-tricarboxylic acid, 1-ethyl 3,4-dimethyl ester
CAS Registry Number 126421-95-2
Comments Less than 3 mono-isotopic peaks
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Formula C18H16N2O6
InChI InChI=1S/C18H16N2O6/c1-4-26-18(23)14-11-9-7-5-6-8-10(9)19-13(11)12(16(21)24-2)15(20-14)17(22)25-3/h5-8,19H,4H2,1-3H3
InChIKey SUGZDEVQGRSRAL-UHFFFAOYSA-N
Molecular Weight 356.334 g/mol
SMILES [nH]1c2ccccc2c2c1c(c(nc2C(=O)OCC)C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0009000000-41841e43baf9700fad42
Source of Spectrum J-55-3267-6
Synonyms 1-Carbethoxy-3,4-dicarbomethoxy-.gamma.-carboline 1-ethyl 3,4-dimethyl 5H-pyrido[4,3-b]indole-1,3,4-tricarboxylate
Wiley ID 1345656