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[2,2'-Bi-1H-pyrrole]-3,4',5-tricarboxylic acid, 1',4-dimethyl-5'-phenyl-, triethyl ester

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[2,2'-Bi-1H-pyrrole]-3,4',5-tricarboxylic acid, 1',4-dimethyl-5'-phenyl-, triethyl ester
SpectraBase Compound ID ADoWaSRaqI6
InChI InChI=1S/C25H28N2O6/c1-6-31-23(28)17-14-18(27(5)22(17)16-12-10-9-11-13-16)21-19(24(29)32-7-2)15(4)20(26-21)25(30)33-8-3/h9-14,26H,6-8H2,1-5H3
InChIKey HNBZCLKHRDKJRX-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yVqIiH26Ob
Name [2,2'-bi-1H-Pyrrole]-3,4',5-tricarboxylic acid, 1',4-dimethyl-5'-phenyl-, triethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.194736624 u
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-6-31-23(28)17-14-18(27(5)22(17)16-12-10-9-11-13-16)21-19(24(29)32-7-2)15(4)20(26-21)25(30)33-8-3/h9-14,26H,6-8H2,1-5H3
InChIKey HNBZCLKHRDKJRX-UHFFFAOYSA-N
Molecular Weight 452.507 g/mol
SMILES C1(=C(N(C)C(C2=C(C(C)=C(N2)C(=O)OCC)C(=O)OCC)=C1)C=1C=CC=CC1)C(=O)OCC