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(5Z)-1-cyclopropyl-5-[(4-fluoroanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5UBKwlZW4pN
InChI InChI=1S/C14H12FN3O2S/c15-8-1-3-9(4-2-8)16-7-11-12(19)17-14(21)18(13(11)20)10-5-6-10/h1-4,7,10,16H,5-6H2,(H,17,19,21)/b11-7-
InChIKey XSMLFFOEXGUDSZ-XFFZJAGNSA-N
Mol Weight 305.33 g/mol
Molecular Formula C14H12FN3O2S
Exact Mass 305.063426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DllI3AO23NI
Name (5Z)-1-cyclopropyl-5-[(4-fluoroanilino)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/C14H12FN3O2S/c15-8-1-3-9(4-2-8)16-7-11-12(19)17-14(21)18(13(11)20)10-5-6-10/h1-4,7,10,16H,5-6H2,(H,17,19,21)/b11-7-
InChIKey XSMLFFOEXGUDSZ-XFFZJAGNSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27595
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: D77202; Labnumber: KKA-0212C-0918; SBI_ID: SBI-027599
Synonyms 1-cyclopropyl-5-[(4-fluoroanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C