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(6Z)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 8MLMXuV7xK6
InChI InChI=1S/C20H13ClFN3O2S/c21-16-10-13(3-6-17(16)27-11-12-1-4-14(22)5-2-12)9-15-18(23)25-7-8-28-20(25)24-19(15)26/h1-10,23H,11H2/b15-9-,23-18?
InChIKey PFWGHWWHOLCXQL-WUVMMTAUSA-N
Mol Weight 413.85 g/mol
Molecular Formula C20H13ClFN3O2S
Exact Mass 413.040104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4NcoXJDAXIm
Name (6Z)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.040103706 u
Formula C20H13ClFN3O2S
InChI InChI=1S/C20H13ClFN3O2S/c21-16-10-13(3-6-17(16)27-11-12-1-4-14(22)5-2-12)9-15-18(23)25-7-8-28-20(25)24-19(15)26/h1-10,23H,11H2/b15-9-,23-18?
InChIKey PFWGHWWHOLCXQL-WUVMMTAUSA-N
Molecular Weight 413.854 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_85
Solvent DMSO-d6
Source Vendor ID: NMR/12259740