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2-[[(2,3-dimethyl-6-quinoxalinyl)amino]methylidene]propanedioic acid diethyl ester
SpectraBase Compound ID 8TDK1FBy7MC
InChI InChI=1S/C18H21N3O4/c1-5-24-17(22)14(18(23)25-6-2)10-19-13-7-8-15-16(9-13)21-12(4)11(3)20-15/h7-10,19H,5-6H2,1-4H3
InChIKey RLZGWEZIZVMHPU-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C18H21N3O4
Exact Mass 343.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Db2WlPmNlES
Name 2-[[(2,3-dimethyl-6-quinoxalinyl)amino]methylidene]propanedioic acid diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.153206164 u
Formula C18H21N3O4
InChI InChI=1S/C18H21N3O4/c1-5-24-17(22)14(18(23)25-6-2)10-19-13-7-8-15-16(9-13)21-12(4)11(3)20-15/h7-10,19H,5-6H2,1-4H3
InChIKey RLZGWEZIZVMHPU-UHFFFAOYSA-N
Molecular Weight 343.383 g/mol
SMILES C(=CNC=1C=C2N=C(C)C(=NC2=CC1)C)(C(=O)OCC)C(=O)OCC