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

*Links on SpectraBase are not permalinks.
ethyl 4-{3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
SpectraBase Compound ID Je3kRAxvSp
InChI InChI=1S/C31H25N3O5/c1-3-39-30(37)22-14-16-24(17-15-22)34-26(20-10-6-4-7-11-20)19-23(27(34)21-12-8-5-9-13-21)18-25-28(35)32-31(38)33(2)29(25)36/h4-19H,3H2,1-2H3,(H,32,35,38)/b25-18+
InChIKey YRPAHHYUNNNCNV-XIEYBQDHSA-N
Mol Weight 519.56 g/mol
Molecular Formula C31H25N3O5
Exact Mass 519.179421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9xLiqknRORu
Name ethyl 4-{3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
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/C31H25N3O5/c1-3-39-30(37)22-14-16-24(17-15-22)34-26(20-10-6-4-7-11-20)19-23(27(34)21-12-8-5-9-13-21)18-25-28(35)32-31(38)33(2)29(25)36/h4-19H,3H2,1-2H3,(H,32,35,38)/b25-18+
InChIKey YRPAHHYUNNNCNV-XIEYBQDHSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3212
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: 113127; Labnumber: PAVL-07200; VK_ID: VK-003213
Synonyms ethyl 4-{3-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Temperature 308 °C