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(6Z)-6-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 3LZ2ILDmKBc
InChI InChI=1S/C22H18ClN3O3S/c1-14-3-2-4-16(11-14)28-8-9-29-19-6-5-15(13-18(19)23)12-17-20(24)26-7-10-30-22(26)25-21(17)27/h2-7,10-13,24H,8-9H2,1H3/b17-12-,24-20?
InChIKey WRKWWSRRNWASRE-WPTKKBASSA-N
Mol Weight 439.92 g/mol
Molecular Formula C22H18ClN3O3S
Exact Mass 439.07574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlwkdJylCJL
Name (6Z)-6-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]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 439.075740323 u
Formula C22H18ClN3O3S
InChI InChI=1S/C22H18ClN3O3S/c1-14-3-2-4-16(11-14)28-8-9-29-19-6-5-15(13-18(19)23)12-17-20(24)26-7-10-30-22(26)25-21(17)27/h2-7,10-13,24H,8-9H2,1H3/b17-12-,24-20?
InChIKey WRKWWSRRNWASRE-WPTKKBASSA-N
Molecular Weight 439.917 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_91
Solvent DMSO-d6
Source Vendor ID: NMR/12259746