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methyl 6-methyl-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 G5Avzv5dQQx
InChI InChI=1S/C25H21F3N4O3S/c1-13-8-9-15-18(10-13)36-23(20(15)24(34)35-2)31-22(33)16-12-29-32-19(25(26,27)28)11-17(30-21(16)32)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,31,33)
InChIKey WXAFVLVWEZRUEG-UHFFFAOYSA-N
Mol Weight 514.52 g/mol
Molecular Formula C25H21F3N4O3S
Exact Mass 514.128646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JXaLRMvPxAO
Name methyl 6-methyl-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/C25H21F3N4O3S/c1-13-8-9-15-18(10-13)36-23(20(15)24(34)35-2)31-22(33)16-12-29-32-19(25(26,27)28)11-17(30-21(16)32)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,31,33)
InChIKey WXAFVLVWEZRUEG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9568
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/8091416; Labnumber: IDV-0004565; UZI_ID: UZI-009570
Temperature 318 °C