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(6E)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-3-methyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID HTCq59qXo2W
InChI InChI=1S/C21H15ClFN3O2S/c1-12-11-29-21-25-20(27)16(19(24)26(12)21)8-14-4-7-18(17(22)9-14)28-10-13-2-5-15(23)6-3-13/h2-9,11,24H,10H2,1H3/b16-8+,24-19?
InChIKey UDRTYLWKFWAPCG-HBEYSNBZSA-N
Mol Weight 427.88 g/mol
Molecular Formula C21H15ClFN3O2S
Exact Mass 427.055754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EPzdjtxEoin
Name (6E)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-3-methyl-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 427.055753770 u
Formula C21H15ClFN3O2S
InChI InChI=1S/C21H15ClFN3O2S/c1-12-11-29-21-25-20(27)16(19(24)26(12)21)8-14-4-7-18(17(22)9-14)28-10-13-2-5-15(23)6-3-13/h2-9,11,24H,10H2,1H3/b16-8+,24-19?
InChIKey UDRTYLWKFWAPCG-HBEYSNBZSA-N
Molecular Weight 427.881 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_89
Solvent DMSO-d6
Source Vendor ID: NMR/12259744