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ethyl (2Z)-2-({5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID HQIi0Ev3WM4
InChI InChI=1S/C28H22ClFN2O5S/c1-3-35-27(34)24-16(2)31-28-32(25(24)17-7-5-4-6-8-17)26(33)23(38-28)14-19-9-10-20(37-19)15-36-18-11-12-22(30)21(29)13-18/h4-14,25H,3,15H2,1-2H3/b23-14-
InChIKey BMPBANDWKJQNPC-UCQKPKSFSA-N
Mol Weight 553.0 g/mol
Molecular Formula C28H22ClFN2O5S
Exact Mass 552.092199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8NGfvg7xA2h
Name ethyl (2Z)-2-({5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylene)-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/C28H22ClFN2O5S/c1-3-35-27(34)24-16(2)31-28-32(25(24)17-7-5-4-6-8-17)26(33)23(38-28)14-19-9-10-20(37-19)15-36-18-11-12-22(30)21(29)13-18/h4-14,25H,3,15H2,1-2H3/b23-14-
InChIKey BMPBANDWKJQNPC-UCQKPKSFSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4618
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: 9679375; UBI_ID: UBI-004619
Synonyms ethyl 2-({5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 313 °C