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ethyl (2E)-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 7yLd6rp6z1z
InChI InChI=1S/C31H25Cl3N2O5S/c1-4-40-30(38)26-17(2)35-31-36(27(26)19-8-6-5-7-9-19)29(37)25(42-31)13-18-10-11-24(39-3)20(12-18)16-41-28-22(33)14-21(32)15-23(28)34/h5-15,27H,4,16H2,1-3H3/b25-13+
InChIKey HHHKQIMAIQEMDG-DHRITJCHSA-N
Mol Weight 643.97 g/mol
Molecular Formula C31H25Cl3N2O5S
Exact Mass 642.054976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8W2L5tiGzJC
Name ethyl (2E)-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/C31H25Cl3N2O5S/c1-4-40-30(38)26-17(2)35-31-36(27(26)19-8-6-5-7-9-19)29(37)25(42-31)13-18-10-11-24(39-3)20(12-18)16-41-28-22(33)14-21(32)15-23(28)34/h5-15,27H,4,16H2,1-3H3/b25-13+
InChIKey HHHKQIMAIQEMDG-DHRITJCHSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_16659
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/8158950; UBI_ID: UBI-016662
Synonyms ethyl 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 300 °C