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ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID ILrdGUHDwb6
InChI InChI=1S/C25H28N4O4S/c1-7-28-16(5)19(14(3)27-28)13-20-23(30)29-22(17-9-11-18(32-6)12-10-17)21(24(31)33-8-2)15(4)26-25(29)34-20/h9-13,22H,7-8H2,1-6H3/b20-13+
InChIKey NBISTYQNOVUAFN-DEDYPNTBSA-N
Mol Weight 480.58 g/mol
Molecular Formula C25H28N4O4S
Exact Mass 480.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ag5T2KVLOpS
Name ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-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/C25H28N4O4S/c1-7-28-16(5)19(14(3)27-28)13-20-23(30)29-22(17-9-11-18(32-6)12-10-17)21(24(31)33-8-2)15(4)26-25(29)34-20/h9-13,22H,7-8H2,1-6H3/b20-13+
InChIKey NBISTYQNOVUAFN-DEDYPNTBSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14507
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/1018243; UBI_ID: UBI-014510
Synonyms ethyl 2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 300 °C