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methyl (2Z)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID aEeWLfSBIa
InChI InChI=1S/C30H23Cl3N2O5S/c1-16-25(29(37)39-3)26(18-7-5-4-6-8-18)35-28(36)24(41-30(35)34-16)12-17-9-10-23(38-2)19(11-17)15-40-27-21(32)13-20(31)14-22(27)33/h4-14,26H,15H2,1-3H3/b24-12-
InChIKey DAUMNMXDCIVZEE-MSXFZWOLSA-N
Mol Weight 629.94 g/mol
Molecular Formula C30H23Cl3N2O5S
Exact Mass 628.039326 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RWyRBznzkh
Name methyl (2Z)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-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/C30H23Cl3N2O5S/c1-16-25(29(37)39-3)26(18-7-5-4-6-8-18)35-28(36)24(41-30(35)34-16)12-17-9-10-23(38-2)19(11-17)15-40-27-21(32)13-20(31)14-22(27)33/h4-14,26H,15H2,1-3H3/b24-12-
InChIKey DAUMNMXDCIVZEE-MSXFZWOLSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4788
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: 9682677; UBI_ID: UBI-004789
Synonyms methyl 2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 313 °C