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ethyl (2E)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7qWIGyX4jHM
InChI InChI=1S/C31H27FN2O5S/c1-4-38-30(36)27-19(2)33-31-34(28(27)22-8-6-5-7-9-22)29(35)26(40-31)17-21-12-15-24(25(16-21)37-3)39-18-20-10-13-23(32)14-11-20/h5-17,28H,4,18H2,1-3H3/b26-17+
InChIKey XIAHJHLMUQHETD-YZSQISJMSA-N
Mol Weight 558.62 g/mol
Molecular Formula C31H27FN2O5S
Exact Mass 558.162471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C8hAPVLVba
Name ethyl (2E)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-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/C31H27FN2O5S/c1-4-38-30(36)27-19(2)33-31-34(28(27)22-8-6-5-7-9-22)29(35)26(40-31)17-21-12-15-24(25(16-21)37-3)39-18-20-10-13-23(32)14-11-20/h5-17,28H,4,18H2,1-3H3/b26-17+
InChIKey XIAHJHLMUQHETD-YZSQISJMSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_329
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: NMR/8267410; Labnumber: LD-1300392
Temperature 297 °C