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(5Z)-5-[2-[2-(4-tert-butylphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(5Z)-5-[2-[2-(4-tert-butylphenoxy)ethoxy]benzylidene]-1-(m-tolyl)barbituric acid
SpectraBase Compound ID 8WbZ52m6MU0
InChI InChI=1S/C30H30N2O5/c1-20-8-7-10-23(18-20)32-28(34)25(27(33)31-29(32)35)19-21-9-5-6-11-26(21)37-17-16-36-24-14-12-22(13-15-24)30(2,3)4/h5-15,18-19H,16-17H2,1-4H3,(H,31,33,35)/b25-19-
InChIKey WZTZVKIXUVQQQW-PLRJNAJWSA-N
Mol Weight 498.58 g/mol
Molecular Formula C30H30N2O5
Exact Mass 498.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mMBrA2eqr5
Name (5Z)-5-[2-[2-(4-Tert-butylphenoxy)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 498.215472069 u
Formula C30H30N2O5
InChI InChI=1S/C30H30N2O5/c1-20-8-7-10-23(18-20)32-28(34)25(27(33)31-29(32)35)19-21-9-5-6-11-26(21)37-17-16-36-24-14-12-22(13-15-24)30(2,3)4/h5-15,18-19H,16-17H2,1-4H3,(H,31,33,35)/b25-19-
InChIKey WZTZVKIXUVQQQW-PLRJNAJWSA-N
Molecular Weight 498.579 g/mol
SMILES C1=CC=C(\C=C/2C(N(C(NC2=O)=O)C=2C=C(C)C=CC2)=O)C(OCCOC2=CC=C(C(C)(C)C)C=C2)=C1