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Methyl 2,5-dihydro-4-methyl-2-oxo-5-[(5'-formylfuran-2'-yl)methylidene]-1H-pyrrole-3-propanoate
SpectraBase Compound ID BLZJRmB429K
InChI InChI=1S/C15H15NO5/c1-9-12(5-6-14(18)20-2)15(19)16-13(9)7-10-3-4-11(8-17)21-10/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)/b13-7-
InChIKey GZCLCRKMDXSUNR-QPEQYQDCSA-N
Mol Weight 289.29 g/mol
Molecular Formula C15H15NO5
Exact Mass 289.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJs0gxfvkGd
Name Methyl 2,5-dihydro-4-methyl-2-oxo-5-[(5'-formylfuran-2'-yl)methylidene]-1H-pyrrole-3-propanoate
Comments Computed using HOSE algorithm
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Exact Mass 289.095022582 u
Formula C15H15NO5
InChI InChI=1S/C15H15NO5/c1-9-12(5-6-14(18)20-2)15(19)16-13(9)7-10-3-4-11(8-17)21-10/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)/b13-7-
InChIKey GZCLCRKMDXSUNR-QPEQYQDCSA-N
Molecular Weight 289.287 g/mol
SMILES C1(N\C(C(=C1CCC(=O)OC)C)=C\C=1OC(C=O)=CC1)=O