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(5E)-1-allyl-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3ickj1KnuLP
InChI InChI=1S/C20H19N3O3S/c1-4-9-22-19(26)17(18(25)21-20(22)27)11-14-10-12(2)23(13(14)3)15-5-7-16(24)8-6-15/h4-8,10-11,24H,1,9H2,2-3H3,(H,21,25,27)/b17-11+
InChIKey BVMZLQNCQAYDJP-GZTJUZNOSA-N
Mol Weight 381.45 g/mol
Molecular Formula C20H19N3O3S
Exact Mass 381.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 68BlKrbkHi4
Name (5E)-1-allyl-5-{[1-(4-hydroxyphenyl)-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/C20H19N3O3S/c1-4-9-22-19(26)17(18(25)21-20(22)27)11-14-10-12(2)23(13(14)3)15-5-7-16(24)8-6-15/h4-8,10-11,24H,1,9H2,2-3H3,(H,21,25,27)/b17-11+
InChIKey BVMZLQNCQAYDJP-GZTJUZNOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10070
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: 1001565; UBI_ID: UBI-010073
Synonyms 1-allyl-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C