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(5Z)-5-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid
SpectraBase Compound ID KVELj9vBQJz
InChI InChI=1S/C29H28N2O6/c1-4-35-26-18-21(10-13-25(26)37-15-14-36-23-11-8-19(2)9-12-23)17-24-27(32)30-29(34)31(28(24)33)22-7-5-6-20(3)16-22/h5-13,16-18H,4,14-15H2,1-3H3,(H,30,32,34)/b24-17-
InChIKey LWDWCLLEJRUKRU-ULJHMMPZSA-N
Mol Weight 500.55 g/mol
Molecular Formula C29H28N2O6
Exact Mass 500.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Az2R4Jn351o
Name (5Z)-5-[3-Ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.194736624 u
Formula C29H28N2O6
InChI InChI=1S/C29H28N2O6/c1-4-35-26-18-21(10-13-25(26)37-15-14-36-23-11-8-19(2)9-12-23)17-24-27(32)30-29(34)31(28(24)33)22-7-5-6-20(3)16-22/h5-13,16-18H,4,14-15H2,1-3H3,(H,30,32,34)/b24-17-
InChIKey LWDWCLLEJRUKRU-ULJHMMPZSA-N
Molecular Weight 500.551 g/mol
SMILES CCOC1=CC(\C=C/2C(N(C(NC2=O)=O)C=2C=C(C)C=CC2)=O)=CC=C1OCCOC=1C=CC(=CC1)C