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(6Z)-6-{3-bromo-4-[2-(4-ethylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID A3B34Deyl8l
InChI InChI=1S/C23H20BrN3O3S/c1-2-15-3-6-17(7-4-15)29-10-11-30-20-8-5-16(14-19(20)24)13-18-21(25)27-9-12-31-23(27)26-22(18)28/h3-9,12-14,25H,2,10-11H2,1H3/b18-13-,25-21?
InChIKey BPDBXLGAVCOSTP-LCQIMXFNSA-N
Mol Weight 498.4 g/mol
Molecular Formula C23H20BrN3O3S
Exact Mass 497.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQm0WavgCyI
Name (6Z)-6-{3-bromo-4-[2-(4-ethylphenoxy)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 497.040875687 u
Formula C23H20BrN3O3S
InChI InChI=1S/C23H20BrN3O3S/c1-2-15-3-6-17(7-4-15)29-10-11-30-20-8-5-16(14-19(20)24)13-18-21(25)27-9-12-31-23(27)26-22(18)28/h3-9,12-14,25H,2,10-11H2,1H3/b18-13-,25-21?
InChIKey BPDBXLGAVCOSTP-LCQIMXFNSA-N
Molecular Weight 498.395 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_121
Solvent DMSO-d6
Source Vendor ID: NMR/12259778