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3-Methyl-5-[[oxo-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester

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3-Methyl-5-[[oxo-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 1HaAhEFZDbF
InChI InChI=1S/C25H21F3N4O5S/c1-4-36-23(34)19-13(3)20(24(35)37-5-2)38-22(19)30-21(33)16-12-18-29-15(14-9-7-6-8-10-14)11-17(25(26,27)28)32(18)31-16/h6-12H,4-5H2,1-3H3,(H,30,33)
InChIKey BDLCZXIRFZGWOM-UHFFFAOYSA-N
Mol Weight 546.52 g/mol
Molecular Formula C25H21F3N4O5S
Exact Mass 546.118475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EViwCX7IVOw
Name diethyl 3-methyl-5-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-2,4-thiophenedicarboxylate
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/C25H21F3N4O5S/c1-4-36-23(34)19-13(3)20(24(35)37-5-2)38-22(19)30-21(33)16-12-18-29-15(14-9-7-6-8-10-14)11-17(25(26,27)28)32(18)31-16/h6-12H,4-5H2,1-3H3,(H,30,33)
InChIKey BDLCZXIRFZGWOM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1502
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/8015755; UBI_ID: UBI-001503
Temperature 308 °C