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(5E)-1-(4-methylphenyl)-5-{[(2-pyridinylmethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 1LPzUcE7icM
InChI InChI=1S/C18H16N4O2S/c1-12-5-7-14(8-6-12)22-17(24)15(16(23)21-18(22)25)11-19-10-13-4-2-3-9-20-13/h2-9,11,19H,10H2,1H3,(H,21,23,25)/b15-11+
InChIKey KBJUYKXHZKNDOT-RVDMUPIBSA-N
Mol Weight 352.41 g/mol
Molecular Formula C18H16N4O2S
Exact Mass 352.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 50l2akqXnxc
Name (5E)-1-(4-methylphenyl)-5-{[(2-pyridinylmethyl)amino]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/C18H16N4O2S/c1-12-5-7-14(8-6-12)22-17(24)15(16(23)21-18(22)25)11-19-10-13-4-2-3-9-20-13/h2-9,11,19H,10H2,1H3,(H,21,23,25)/b15-11+
InChIKey KBJUYKXHZKNDOT-RVDMUPIBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13575
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: D86258; Labnumber: KV-2489; SBI_ID: SBI-013578
Synonyms 1-(4-methylphenyl)-5-{[(2-pyridinylmethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C