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(5E)-1-allyl-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

View entire compound with spectra: 1 NMR

(5E)-1-allyl-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 9kd7rI6JXAR
InChI InChI=1S/C21H19N3O4S/c1-4-7-23-20(26)16(19(25)22-21(23)29)9-14-8-12(2)24(13(14)3)15-5-6-17-18(10-15)28-11-27-17/h4-6,8-10H,1,7,11H2,2-3H3,(H,22,25,29)/b16-9+
InChIKey WECSMMSOGVAVAQ-CXUHLZMHSA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AAk1YeGeUQc
Name (5E)-1-allyl-5-{[1-(1,3-benzodioxol-5-yl)-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/C21H19N3O4S/c1-4-7-23-20(26)16(19(25)22-21(23)29)9-14-8-12(2)24(13(14)3)15-5-6-17-18(10-15)28-11-27-17/h4-6,8-10H,1,7,11H2,2-3H3,(H,22,25,29)/b16-9+
InChIKey WECSMMSOGVAVAQ-CXUHLZMHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11871
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: 1003963; UBI_ID: UBI-011874
Synonyms 1-allyl-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C