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4,6(1H,5H)-pyrimidinedione, dihydro-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-1-phenyl-2-thioxo-, (5E)-
SpectraBase Compound ID JxSBzhK34ei
InChI InChI=1S/C16H13N3O2S/c1-18-9-5-8-12(18)10-13-14(20)17-16(22)19(15(13)21)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,20,22)/b13-10+
InChIKey MEGFBASJGORXIQ-JLHYYAGUSA-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 A5pkm7NQt3b
Name 4,6(1H,5H)-pyrimidinedione, dihydro-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-1-phenyl-2-thioxo-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.072847843 u
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c1-18-9-5-8-12(18)10-13-14(20)17-16(22)19(15(13)21)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,20,22)/b13-10+
InChIKey MEGFBASJGORXIQ-JLHYYAGUSA-N
Molecular Weight 311.359 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6468
Solvent DMSO-d6
Source Vendor ID: NMR/9253445; Lab Info: LP; Lab Number: LP-0020056