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methyl {3-[(Z)-(1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
SpectraBase Compound ID 5SZNeowfPQ5
InChI InChI=1S/C22H16FN3O4S/c1-30-19(27)12-25-11-13(16-4-2-3-5-18(16)25)10-17-20(28)24-22(31)26(21(17)29)15-8-6-14(23)7-9-15/h2-11H,12H2,1H3,(H,24,28,31)/b17-10-
InChIKey IXNLPDZVWWAHSN-YVLHZVERSA-N
Mol Weight 437.45 g/mol
Molecular Formula C22H16FN3O4S
Exact Mass 437.084555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KArKXdxVzp
Name methyl {3-[(Z)-(1-(4-fluorophenyl)-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/C22H16FN3O4S/c1-30-19(27)12-25-11-13(16-4-2-3-5-18(16)25)10-17-20(28)24-22(31)26(21(17)29)15-8-6-14(23)7-9-15/h2-11H,12H2,1H3,(H,24,28,31)/b17-10-
InChIKey IXNLPDZVWWAHSN-YVLHZVERSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22831
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: D35870; Labnumber: SPDEM4-16701; SBI_ID: SBI-022835
Synonyms methyl {3-[(1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
Temperature 318 °C