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5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID JQeBkON9NYY
InChI InChI=1S/C17H14FN3O2S/c1-9-6-11(7-14-15(22)19-17(24)20-16(14)23)10(2)21(9)13-5-3-4-12(18)8-13/h3-8H,1-2H3,(H2,19,20,22,23,24)
InChIKey ZTRPANYHFJJHPW-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C17H14FN3O2S
Exact Mass 343.079076 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LPACbgDKa5S
Name 5-{[1-(3-fluorophenyl)-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/C17H14FN3O2S/c1-9-6-11(7-14-15(22)19-17(24)20-16(14)23)10(2)21(9)13-5-3-4-12(18)8-13/h3-8H,1-2H3,(H2,19,20,22,23,24)
InChIKey ZTRPANYHFJJHPW-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13497
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: UZI/1010348; UBI_ID: UBI-013500
Temperature 300 °C