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1,3-dimethyl-5-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 4kXI1mWzqXn
InChI InChI=1S/C23H21N3O2S/c1-15-7-6-8-16(11-15)13-26-14-17(18-9-4-5-10-20(18)26)12-19-21(27)24(2)23(29)25(3)22(19)28/h4-12,14H,13H2,1-3H3
InChIKey ALLYUDXZHPXYMR-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C23H21N3O2S
Exact Mass 403.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IcGBWB742QT
Name 1,3-dimethyl-5-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C23H21N3O2S/c1-15-7-6-8-16(11-15)13-26-14-17(18-9-4-5-10-20(18)26)12-19-21(27)24(2)23(29)25(3)22(19)28/h4-12,14H,13H2,1-3H3
InChIKey ALLYUDXZHPXYMR-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8340
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: 9686886; UBI_ID: UBI-008343
Temperature 308 °C