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(5E)-1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3EZVEle5NCJ
InChI InChI=1S/C16H13N3O2S/c1-10-5-2-3-7-13(10)19-15(21)12(14(20)18-16(19)22)9-11-6-4-8-17-11/h2-9,17H,1H3,(H,18,20,22)/b12-9+
InChIKey OUNSYHXRBPRJPH-FMIVXFBMSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1hVkR0pvuG1
Name (5E)-1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-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/C16H13N3O2S/c1-10-5-2-3-7-13(10)19-15(21)12(14(20)18-16(19)22)9-11-6-4-8-17-11/h2-9,17H,1H3,(H,18,20,22)/b12-9+
InChIKey OUNSYHXRBPRJPH-FMIVXFBMSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5314
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: NMR/10321735; Labnumber: LP-1708269; IOH_ID: IOH-005315
Synonyms 1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione