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ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate

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ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate
SpectraBase Compound ID I70vcYnVM3d
InChI InChI=1S/C21H16ClF3N4O3S2/c1-3-10-7-11(20(31)32-4-2)19(33-10)27-18(30)13-9-17-26-12(14-5-6-16(22)34-14)8-15(21(23,24)25)29(17)28-13/h5-9H,3-4H2,1-2H3,(H,27,30)
InChIKey PTQVCOPGWUBDQH-UHFFFAOYSA-N
Mol Weight 528.95 g/mol
Molecular Formula C21H16ClF3N4O3S2
Exact Mass 528.030445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65QWMoOUPoM
Name ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate
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/C21H16ClF3N4O3S2/c1-3-10-7-11(20(31)32-4-2)19(33-10)27-18(30)13-9-17-26-12(14-5-6-16(22)34-14)8-15(21(23,24)25)29(17)28-13/h5-9H,3-4H2,1-2H3,(H,27,30)
InChIKey PTQVCOPGWUBDQH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6319
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/1024785; Labnumber: COL1328; UZI_ID: UZI-006321
Temperature 306 °C