For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-[1-(p-Tolyl)-3-[(p-tolyl)amino]-4-carboxyethyl-2-oxopyrrol-5-ylidene]dicarboxylic acid diethyl ester
SpectraBase Compound ID JhoGHR0cuY3
InChI InChI=1S/C28H30N2O7/c1-5-36-27(34)23(28(35)37-6-2)25-21(15-16-22(31)32)24(29-19-11-7-17(3)8-12-19)26(33)30(25)20-13-9-18(4)10-14-20/h7-14,29H,5-6,15-16H2,1-4H3,(H,31,32)
InChIKey JEQJSQHUTBBDFR-UHFFFAOYSA-N
Mol Weight 506.56 g/mol
Molecular Formula C28H30N2O7
Exact Mass 506.205301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CCuMZLXDH7l
Name (E)-[1-(p-Tolyl)-3-[(p-tolyl)amino]-4-carboxyethyl-2-oxopyrrol-5-ylidene]dicarboxylic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.205301307 u
Formula C28H30N2O7
InChI InChI=1S/C28H30N2O7/c1-5-36-27(34)23(28(35)37-6-2)25-21(15-16-22(31)32)24(29-19-11-7-17(3)8-12-19)26(33)30(25)20-13-9-18(4)10-14-20/h7-14,29H,5-6,15-16H2,1-4H3,(H,31,32)
InChIKey JEQJSQHUTBBDFR-UHFFFAOYSA-N
Molecular Weight 506.555 g/mol
SMILES C1(N(C(=O)C(=C1CCC(=O)O)NC1=CC=C(C=C1)C)C1=CC=C(C=C1)C)=C(C(=O)OCC)C(=O)OCC