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ethyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID Bgs3dZLfq5u
InChI InChI=1S/C22H21FN4O3S/c1-5-30-21(29)18-12(2)25-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-24-26(4)13(15)3/h6-11,19H,5H2,1-4H3/b17-10+
InChIKey ZNAPBURAUTYNFM-LICLKQGHSA-N
Mol Weight 440.49 g/mol
Molecular Formula C22H21FN4O3S
Exact Mass 440.13184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvYIGEjRJGI
Name ethyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-fluorophenyl)-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/C22H21FN4O3S/c1-5-30-21(29)18-12(2)25-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-24-26(4)13(15)3/h6-11,19H,5H2,1-4H3/b17-10+
InChIKey ZNAPBURAUTYNFM-LICLKQGHSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7001
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: 9685855; UBI_ID: UBI-007003
Synonyms ethyl 2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 308 °C