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4,6(1H,5H)-pyrimidinedione, 1-ethyldihydro-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2-thioxo-, (5E)-
SpectraBase Compound ID JV0tAwjAgIS
InChI InChI=1S/C12H13N3O2S/c1-3-15-11(17)9(10(16)13-12(15)18)7-8-5-4-6-14(8)2/h4-7H,3H2,1-2H3,(H,13,16,18)/b9-7+
InChIKey OTCKMVDGIBNRAU-VQHVLOKHSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5fTOdRUzo7c
Name 4,6(1H,5H)-pyrimidinedione, 1-ethyldihydro-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-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 263.072847843 u
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-3-15-11(17)9(10(16)13-12(15)18)7-8-5-4-6-14(8)2/h4-7H,3H2,1-2H3,(H,13,16,18)/b9-7+
InChIKey OTCKMVDGIBNRAU-VQHVLOKHSA-N
Molecular Weight 263.315 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4983
Solvent DMSO-d6
Source Vendor ID: NMR/9253455; Lab Info: LP; Lab Number: LP-0020075
Temperature 29.85 °C