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ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID E6j6WXqIm6Z
InChI InChI=1S/C27H24N4O4S/c1-4-35-26(33)22-16(2)29-27-31(24(22)18-10-12-20(34-3)13-11-18)25(32)21(36-27)14-19-15-28-30-23(19)17-8-6-5-7-9-17/h5-15,24H,4H2,1-3H3,(H,28,30)/b21-14+
InChIKey SEWLAXZPYWQOBL-KGENOOAVSA-N
Mol Weight 500.57 g/mol
Molecular Formula C27H24N4O4S
Exact Mass 500.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8kq3QGAa9FT
Name ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-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/C27H24N4O4S/c1-4-35-26(33)22-16(2)29-27-31(24(22)18-10-12-20(34-3)13-11-18)25(32)21(36-27)14-19-15-28-30-23(19)17-8-6-5-7-9-17/h5-15,24H,4H2,1-3H3,(H,28,30)/b21-14+
InChIKey SEWLAXZPYWQOBL-KGENOOAVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2677
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: 9312934; UBI_ID: UBI-002678
Synonyms ethyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C