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methyl (2Z)-2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID JprsUm2sDfN
InChI InChI=1S/C30H22F4N2O5S/c1-15-23(29(38)40-3)26(17-7-5-4-6-8-17)36-28(37)22(42-30(36)35-15)12-16-9-10-21(39-2)18(11-16)14-41-27-24(33)19(31)13-20(32)25(27)34/h4-13,26H,14H2,1-3H3/b22-12-
InChIKey IRTDRLUPQLQBGM-UUYOSTAYSA-N
Mol Weight 598.57 g/mol
Molecular Formula C30H22F4N2O5S
Exact Mass 598.118556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GYNXXGb2LgT
Name methyl (2Z)-2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H22F4N2O5S/c1-15-23(29(38)40-3)26(17-7-5-4-6-8-17)36-28(37)22(42-30(36)35-15)12-16-9-10-21(39-2)18(11-16)14-41-27-24(33)19(31)13-20(32)25(27)34/h4-13,26H,14H2,1-3H3/b22-12-
InChIKey IRTDRLUPQLQBGM-UUYOSTAYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2483
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: 9312828; UBI_ID: UBI-002484
Synonyms methyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 308 °C