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methyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID FUL4b9JlT4N
InChI InChI=1S/C30H25IN2O5S/c1-18-26(29(35)37-3)27(20-7-5-4-6-8-20)33-28(34)25(39-30(33)32-18)16-19-9-14-24(36-2)21(15-19)17-38-23-12-10-22(31)11-13-23/h4-16,27H,17H2,1-3H3/b25-16-
InChIKey XUEHQLHLUREWJI-XYGWBWBKSA-N
Mol Weight 652.5 g/mol
Molecular Formula C30H25IN2O5S
Exact Mass 652.052888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3B46N7YuJE7
Name methyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H25IN2O5S/c1-18-26(29(35)37-3)27(20-7-5-4-6-8-20)33-28(34)25(39-30(33)32-18)16-19-9-14-24(36-2)21(15-19)17-38-23-12-10-22(31)11-13-23/h4-16,27H,17H2,1-3H3/b25-16-
InChIKey XUEHQLHLUREWJI-XYGWBWBKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20742
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9312671; UBI_ID: UBI-020746
Synonyms methyl 2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 308 °C