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2-Butenoic acid, 4-(3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester, (E,E)-

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2-Butenoic acid, 4-(3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester, (E,E)-
SpectraBase Compound ID KzfUZBP559O
InChI InChI=1S/C13H12N2O3/c1-18-12(16)8-4-7-11-13(17)15-10-6-3-2-5-9(10)14-11/h2-8,14H,1H3,(H,15,17)/b8-4+,11-7+
InChIKey QJGJZBBXUZBZJR-RIALUSDFSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaVV9KMDQuE
Name 2-Butenoic acid, 4-(3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester, (E,E)-
Comments Computed using HOSE algorithm
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Exact Mass 244.084792251 u
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-18-12(16)8-4-7-11-13(17)15-10-6-3-2-5-9(10)14-11/h2-8,14H,1H3,(H,15,17)/b8-4+,11-7+
InChIKey QJGJZBBXUZBZJR-RIALUSDFSA-N
Molecular Weight 244.250 g/mol
SMILES C1(NC=2C=CC=CC2N\C1=C/C=C/C(=O)OC)=O