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(5Z)-1-allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID LKyaXDclhtu
InChI InChI=1S/C21H21N3O2S/c1-5-10-23-20(26)18(19(25)22-21(23)27)12-16-11-14(3)24(15(16)4)17-8-6-13(2)7-9-17/h5-9,11-12H,1,10H2,2-4H3,(H,22,25,27)/b18-12-
InChIKey CWJHVRDJNPUSHI-PDGQHHTCSA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 482jWBFR19i
Name (5Z)-1-allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-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/C21H21N3O2S/c1-5-10-23-20(26)18(19(25)22-21(23)27)12-16-11-14(3)24(15(16)4)17-8-6-13(2)7-9-17/h5-9,11-12H,1,10H2,2-4H3,(H,22,25,27)/b18-12-
InChIKey CWJHVRDJNPUSHI-PDGQHHTCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4763
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: E10383; Labnumber: KKA-0212B-0379; SBI_ID: SBI-004765
Synonyms 1-allyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C