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(5E)-1-benzyl-5-({1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 67wvYtSdidn
InChI InChI=1S/C30H27N3O4/c1-20-12-13-21(2)27(16-20)37-15-14-32-19-23(24-10-6-7-11-26(24)32)17-25-28(34)31-30(36)33(29(25)35)18-22-8-4-3-5-9-22/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,31,34,36)/b25-17+
InChIKey PECBKMUEFYXVMC-KOEQRZSOSA-N
Mol Weight 493.56 g/mol
Molecular Formula C30H27N3O4
Exact Mass 493.200156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EjGTCmO8gTA
Name (5E)-1-benzyl-5-({1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H27N3O4/c1-20-12-13-21(2)27(16-20)37-15-14-32-19-23(24-10-6-7-11-26(24)32)17-25-28(34)31-30(36)33(29(25)35)18-22-8-4-3-5-9-22/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,31,34,36)/b25-17+
InChIKey PECBKMUEFYXVMC-KOEQRZSOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2021
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9311721; UBI_ID: UBI-002022
Synonyms 1-benzyl-5-({1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C