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(5E)-1-(4-fluorobenzyl)-5-{[(tetrahydro-2-furanylmethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID DYgymWzxbxj
InChI InChI=1S/C17H18FN3O3S/c18-12-5-3-11(4-6-12)10-21-16(23)14(15(22)20-17(21)25)9-19-8-13-2-1-7-24-13/h3-6,9,13,19H,1-2,7-8,10H2,(H,20,22,25)/b14-9+
InChIKey MCSJCHPSKQQBNA-NTEUORMPSA-N
Mol Weight 363.41 g/mol
Molecular Formula C17H18FN3O3S
Exact Mass 363.105291 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXvQdtokVGh
Name (5E)-1-(4-fluorobenzyl)-5-{[(tetrahydro-2-furanylmethyl)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/C17H18FN3O3S/c18-12-5-3-11(4-6-12)10-21-16(23)14(15(22)20-17(21)25)9-19-8-13-2-1-7-24-13/h3-6,9,13,19H,1-2,7-8,10H2,(H,20,22,25)/b14-9+
InChIKey MCSJCHPSKQQBNA-NTEUORMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17606
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: D28758; Labnumber: KKA-0211-2507; SBI_ID: SBI-017609
Synonyms 1-(4-fluorobenzyl)-5-{[(tetrahydro-2-furanylmethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C