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1H-Pyrrole-3-propanoic acid, 2,2'-(1,3-dioxo-1,3-propanediyl)bis[4-(2-methoxy-2-oxoethyl)-5-methyl-, dimethyl ester
SpectraBase Compound ID 4aOSQHbOGXm
InChI InChI=1S/C27H34N2O10/c1-14-18(11-24(34)38-5)16(7-9-22(32)36-3)26(28-14)20(30)13-21(31)27-17(8-10-23(33)37-4)19(15(2)29-27)12-25(35)39-6/h28-29H,7-13H2,1-6H3
InChIKey ILZUJGFDJOIBJZ-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C27H34N2O10
Exact Mass 546.221345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KDTXLmoflG
Name 1H-Pyrrole-3-propanoic acid, 2,2'-(1,3-dioxo-1,3-propanediyl)bis[4-(2-methoxy-2-oxoethyl)-5-methyl-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.221345293 u
Formula C27H34N2O10
InChI InChI=1S/C27H34N2O10/c1-14-18(11-24(34)38-5)16(7-9-22(32)36-3)26(28-14)20(30)13-21(31)27-17(8-10-23(33)37-4)19(15(2)29-27)12-25(35)39-6/h28-29H,7-13H2,1-6H3
InChIKey ILZUJGFDJOIBJZ-UHFFFAOYSA-N
Molecular Weight 546.573 g/mol
SMILES C1(=C(C(CC(=O)OC)=C(N1)C)CCC(=O)OC)C(CC(C1=C(C(CC(=O)OC)=C(N1)C)CCC(=O)OC)=O)=O