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ethyl {3-[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
SpectraBase Compound ID 5XfpSMqYa3P
InChI InChI=1S/C25H23N3O5/c1-4-33-22(29)14-27-13-17(19-7-5-6-8-21(19)27)12-20-23(30)26-25(32)28(24(20)31)18-10-9-15(2)16(3)11-18/h5-13H,4,14H2,1-3H3,(H,26,30,32)/b20-12+
InChIKey ZDALVHGFNWOVAU-UDWIEESQSA-N
Mol Weight 445.48 g/mol
Molecular Formula C25H23N3O5
Exact Mass 445.163771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ryYvN78BDX
Name ethyl {3-[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
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/C25H23N3O5/c1-4-33-22(29)14-27-13-17(19-7-5-6-8-21(19)27)12-20-23(30)26-25(32)28(24(20)31)18-10-9-15(2)16(3)11-18/h5-13H,4,14H2,1-3H3,(H,26,30,32)/b20-12+
InChIKey ZDALVHGFNWOVAU-UDWIEESQSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13863
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: UZI/1010625; UBI_ID: UBI-013866
Synonyms ethyl {3-[(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
Temperature 300 °C