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(6Z)-6-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID CmDXfyEzcQE
InChI InChI=1S/C23H20ClN3O3S/c1-14-9-15(2)11-17(10-14)29-6-7-30-20-4-3-16(13-19(20)24)12-18-21(25)27-5-8-31-23(27)26-22(18)28/h3-5,8-13,25H,6-7H2,1-2H3/b18-12-,25-21?
InChIKey MZUKSVJNKARKQS-JLFKZYKSSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6L0QF1WQuCl
Name (6Z)-6-{3-chloro-4-[2-(3,5-dimethylphenoxy)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 453.091390387 u
Formula C23H20ClN3O3S
InChI InChI=1S/C23H20ClN3O3S/c1-14-9-15(2)11-17(10-14)29-6-7-30-20-4-3-16(13-19(20)24)12-18-21(25)27-5-8-31-23(27)26-22(18)28/h3-5,8-13,25H,6-7H2,1-2H3/b18-12-,25-21?
InChIKey MZUKSVJNKARKQS-JLFKZYKSSA-N
Molecular Weight 453.944 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_97
Solvent DMSO-d6
Source Vendor ID: NMR/12259752