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Ethyl 2-(ethoxycarbonyl)-5-methyl-4-[(phenylmethoxy)carbonyl]-1H-pyrrole-3-propanoate
SpectraBase Compound ID JInBeNVdPQq
InChI InChI=1S/C21H25NO6/c1-4-26-17(23)12-11-16-18(14(3)22-19(16)21(25)27-5-2)20(24)28-13-15-9-7-6-8-10-15/h6-10,22H,4-5,11-13H2,1-3H3
InChIKey XOJORSYVKCEKNY-UHFFFAOYSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 888Hnt65vf7
Name Ethyl 2-(ethoxycarbonyl)-5-methyl-4-[(phenylmethoxy)carbonyl]-1H-pyrrole-3-propanoate
Comments Computed using HOSE algorithm
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Exact Mass 387.168187523 u
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-4-26-17(23)12-11-16-18(14(3)22-19(16)21(25)27-5-2)20(24)28-13-15-9-7-6-8-10-15/h6-10,22H,4-5,11-13H2,1-3H3
InChIKey XOJORSYVKCEKNY-UHFFFAOYSA-N
Molecular Weight 387.432 g/mol
SMILES C1(=C(NC(=C1CCC(OCC)=O)C(=O)OCC)C)C(OCC1=CC=CC=C1)=O