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ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 4go8k5Nrsj9
InChI InChI=1S/C33H32IN3O5S/c1-6-41-32(39)29-20(2)35-33-37(30(29)22-8-12-25(13-9-22)36(3)4)31(38)28(43-33)18-21-7-16-27(40-5)23(17-21)19-42-26-14-10-24(34)11-15-26/h7-18,30H,6,19H2,1-5H3/b28-18-
InChIKey KANAOCDEEXXPQK-VEILYXNESA-N
Mol Weight 709.6 g/mol
Molecular Formula C33H32IN3O5S
Exact Mass 709.110737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XlMbs6uPej
Name ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-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/C33H32IN3O5S/c1-6-41-32(39)29-20(2)35-33-37(30(29)22-8-12-25(13-9-22)36(3)4)31(38)28(43-33)18-21-7-16-27(40-5)23(17-21)19-42-26-14-10-24(34)11-15-26/h7-18,30H,6,19H2,1-5H3/b28-18-
InChIKey KANAOCDEEXXPQK-VEILYXNESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2666
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: 9312675; UBI_ID: UBI-002667
Synonyms ethyl 5-[4-(dimethylamino)phenyl]-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 308 °C