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methyl 2,4-dimethyl-5-[(2E)-3-(5-methyl-2-furyl)-2-propenoyl]-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 5aj9P0B3URI
InChI InChI=1S/C16H17NO4/c1-9-5-6-12(21-9)7-8-13(18)15-10(2)14(11(3)17-15)16(19)20-4/h5-8,17H,1-4H3/b8-7+
InChIKey DJPYOFJTTXHCOP-BQYQJAHWSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xaaFdNXKnN
Name Methyl 2,4-dimethyl-5-[(2E)-3-(5-methyl-2-furyl)-2-propenoyl]-1H-pyrrole-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 287.115758027 u
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-9-5-6-12(21-9)7-8-13(18)15-10(2)14(11(3)17-15)16(19)20-4/h5-8,17H,1-4H3/b8-7+
InChIKey DJPYOFJTTXHCOP-BQYQJAHWSA-N
Molecular Weight 287.315 g/mol
SMILES N1C(=C(C(=C1C)C(=O)OC)C)C(\C=C\C=1OC(C)=CC1)=O