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ethyl (2E)-2-[4-(allyloxy)-3-bromo-5-methoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 1gdfLONKo8q
InChI InChI=1S/C29H30BrN3O5S/c1-7-13-38-26-21(30)14-18(15-22(26)36-6)16-23-27(34)33-25(19-9-11-20(12-10-19)32(4)5)24(28(35)37-8-2)17(3)31-29(33)39-23/h7,9-12,14-16,25H,1,8,13H2,2-6H3/b23-16+
InChIKey XMXBVVDZGBQIME-XQNSMLJCSA-N
Mol Weight 612.54 g/mol
Molecular Formula C29H30BrN3O5S
Exact Mass 611.108955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5AIiSADZn53
Name ethyl (2E)-2-[4-(allyloxy)-3-bromo-5-methoxybenzylidene]-5-[4-(dimethylamino)phenyl]-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/C29H30BrN3O5S/c1-7-13-38-26-21(30)14-18(15-22(26)36-6)16-23-27(34)33-25(19-9-11-20(12-10-19)32(4)5)24(28(35)37-8-2)17(3)31-29(33)39-23/h7,9-12,14-16,25H,1,8,13H2,2-6H3/b23-16+
InChIKey XMXBVVDZGBQIME-XQNSMLJCSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3579
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: ZI/7080258; Labnumber: LD-13A0054; IOH_ID: IOH-003580
Synonyms ethyl 2-[4-(allyloxy)-3-bromo-5-methoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 303 °C