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methyl {3-[(E)-(1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
SpectraBase Compound ID HPM7JkffXX2
InChI InChI=1S/C22H15Cl2N3O4S/c1-31-18(28)11-26-10-12(13-5-2-3-7-16(13)26)9-14-20(29)25-22(32)27(21(14)30)17-8-4-6-15(23)19(17)24/h2-10H,11H2,1H3,(H,25,29,32)/b14-9+
InChIKey BSPMONKYOWYFAP-NTEUORMPSA-N
Mol Weight 488.35 g/mol
Molecular Formula C22H15Cl2N3O4S
Exact Mass 487.016033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AwhKN7dQAvS
Name methyl {3-[(E)-(1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydro-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/C22H15Cl2N3O4S/c1-31-18(28)11-26-10-12(13-5-2-3-7-16(13)26)9-14-20(29)25-22(32)27(21(14)30)17-8-4-6-15(23)19(17)24/h2-10H,11H2,1H3,(H,25,29,32)/b14-9+
InChIKey BSPMONKYOWYFAP-NTEUORMPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9674
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: 133697; Labnumber: AREF2K-2994; VK_ID: VK-009678
Synonyms methyl {3-[(1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
Temperature 315 °C