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(6Z)-6-{3-bromo-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID TyrOUUcO3e
InChI InChI=1S/C21H16BrN3O2S/c1-13-3-2-4-15(9-13)12-27-18-6-5-14(11-17(18)22)10-16-19(23)25-7-8-28-21(25)24-20(16)26/h2-11,23H,12H2,1H3/b16-10-,23-19?
InChIKey BSGJVUYWZNKOSV-HRIUQOHOSA-N
Mol Weight 454.34 g/mol
Molecular Formula C21H16BrN3O2S
Exact Mass 453.014661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C86Wv0wXx71
Name (6Z)-6-{3-bromo-4-[(3-methylbenzyl)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 453.014660939 u
Formula C21H16BrN3O2S
InChI InChI=1S/C21H16BrN3O2S/c1-13-3-2-4-15(9-13)12-27-18-6-5-14(11-17(18)22)10-16-19(23)25-7-8-28-21(25)24-20(16)26/h2-11,23H,12H2,1H3/b16-10-,23-19?
InChIKey BSGJVUYWZNKOSV-HRIUQOHOSA-N
Molecular Weight 454.342 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_100
Solvent DMSO-d6
Source Vendor ID: NMR/12259755