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5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KHMGzpLSd4e
InChI InChI=1S/C21H23N3O2S/c1-4-5-6-15-7-9-17(10-8-15)24-13(2)11-16(14(24)3)12-18-19(25)22-21(27)23-20(18)26/h7-12H,4-6H2,1-3H3,(H2,22,23,25,26,27)
InChIKey BJDCCYORFAUXRP-UHFFFAOYSA-N
Mol Weight 381.49 g/mol
Molecular Formula C21H23N3O2S
Exact Mass 381.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6VjIjESdjJt
Name 5-{[1-(4-butylphenyl)-2,5-dimethyl-1H-pyrrol-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/C21H23N3O2S/c1-4-5-6-15-7-9-17(10-8-15)24-13(2)11-16(14(24)3)12-18-19(25)22-21(27)23-20(18)26/h7-12H,4-6H2,1-3H3,(H2,22,23,25,26,27)
InChIKey BJDCCYORFAUXRP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11259
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: 1003776; UBI_ID: UBI-011262
Temperature 308 °C