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ethyl 2-({[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 9DcE75lkPl1
InChI InChI=1S/C26H22BrF3N4O3S/c1-3-37-25(36)22-16-9-4-13(2)10-19(16)38-24(22)32-23(35)18-12-21-31-17(14-5-7-15(27)8-6-14)11-20(26(28,29)30)34(21)33-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,32,35)
InChIKey AZPVQZVPPHVWFR-UHFFFAOYSA-N
Mol Weight 607.45 g/mol
Molecular Formula C26H22BrF3N4O3S
Exact Mass 606.054809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KD9ein3GTlr
Name ethyl 2-({[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-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/C26H22BrF3N4O3S/c1-3-37-25(36)22-16-9-4-13(2)10-19(16)38-24(22)32-23(35)18-12-21-31-17(14-5-7-15(27)8-6-14)11-20(26(28,29)30)34(21)33-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,32,35)
InChIKey AZPVQZVPPHVWFR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9622
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/8050753; Labnumber: IDV-4903; UZI_ID: UZI-009624
Temperature 308 °C