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2-butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SpectraBase Compound ID I4tXYNrMnMB
InChI InChI=1S/C13H19NO4/c1-5-6-7-18-13(16)11-8(2)10(9(3)14-11)12(15)17-4/h14H,5-7H2,1-4H3
InChIKey OHNHXZXSADNGAV-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaZ4bGmMZqi
Name 2-Butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 253.131408092 u
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-5-6-7-18-13(16)11-8(2)10(9(3)14-11)12(15)17-4/h14H,5-7H2,1-4H3
InChIKey OHNHXZXSADNGAV-UHFFFAOYSA-N
Molecular Weight 253.298 g/mol
SMILES N1C(=C(C(=C1C)C(=O)OC)C)C(=O)OCCCC