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(6Z)-6-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methylene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1QchE6UJRmk
InChI InChI=1S/C24H17ClN4OS/c25-18-10-8-16(9-11-18)14-28-12-4-7-19(28)13-20-22(26)29-21(17-5-2-1-3-6-17)15-31-24(29)27-23(20)30/h1-13,15,26H,14H2/b20-13-,26-22?
InChIKey YATKAFVIFROZLJ-SMTYPRMSSA-N
Mol Weight 444.94 g/mol
Molecular Formula C24H17ClN4OS
Exact Mass 444.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ht9DYwNjwn4
Name (6Z)-6-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methylene}-5-imino-3-phenyl-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 444.081160056 u
Formula C24H17ClN4OS
InChI InChI=1S/C24H17ClN4OS/c25-18-10-8-16(9-11-18)14-28-12-4-7-19(28)13-20-22(26)29-21(17-5-2-1-3-6-17)15-31-24(29)27-23(20)30/h1-13,15,26H,14H2/b20-13-,26-22?
InChIKey YATKAFVIFROZLJ-SMTYPRMSSA-N
Molecular Weight 444.940 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_73
Solvent DMSO-d6
Source Vendor ID: NMR/12259728