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2-[(3-methyl-1-oxido-quinoxalin-1-ium-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID EPpHsySwrrN
InChI InChI=1S/C20H19N3O4/c1-13-18(23(26)17-11-7-6-10-15(17)21-13)19(24)22-16(20(25)27-2)12-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,22,24)
InChIKey IECDPXLUFMOKQJ-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C20H19N3O4
Exact Mass 365.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LvOdwMv2rY
Name 2-[(3-methyl-1-oxido-quinoxalin-1-ium-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19N3O4
InChI InChI=1S/C20H19N3O4/c1-13-18(23(26)17-11-7-6-10-15(17)21-13)19(24)22-16(20(25)27-2)12-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,22,24)
InChIKey IECDPXLUFMOKQJ-UHFFFAOYSA-N
Literature Reference Author S.S.SABRI,M.M.EL-ABADELAH,H.I.TASHTOUSH,H.DUDDECK
Literature Reference Citation HETEROCYCLES,24,3169(1986)
Literature Reference DOI 10.3987/R-1986-11-3169
Molecular Weight 365.389 g/mol
Solvent CDCl3
Source File Reference UWED8976