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isopropyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DMy2lkpJhVn
InChI InChI=1S/C26H23F3N4O3S/c1-14(2)36-25(35)21-16-10-6-7-11-19(16)37-24(21)32-23(34)17-13-30-33-20(26(27,28)29)12-18(31-22(17)33)15-8-4-3-5-9-15/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,32,34)
InChIKey KHLKRUSXCVBMEC-UHFFFAOYSA-N
Mol Weight 528.55 g/mol
Molecular Formula C26H23F3N4O3S
Exact Mass 528.144296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ejqhtw9sMt
Name isopropyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-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/C26H23F3N4O3S/c1-14(2)36-25(35)21-16-10-6-7-11-19(16)37-24(21)32-23(34)17-13-30-33-20(26(27,28)29)12-18(31-22(17)33)15-8-4-3-5-9-15/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,32,34)
InChIKey KHLKRUSXCVBMEC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9566
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/8078132; Labnumber: IDV-0004547; UZI_ID: UZI-009568
Temperature 318 °C