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isopropyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

isopropyl 2-({[5-(4-methoxyphenyl)-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 EX8ET7qbOoW
InChI InChI=1S/C28H27F3N4O4S/c1-14(2)39-27(37)24-18-10-5-15(3)11-21(18)40-26(24)33-25(36)20-13-23-32-19(16-6-8-17(38-4)9-7-16)12-22(28(29,30)31)35(23)34-20/h6-9,12-15H,5,10-11H2,1-4H3,(H,33,36)
InChIKey CQRHXVRBXNUSNZ-UHFFFAOYSA-N
Mol Weight 572.6 g/mol
Molecular Formula C28H27F3N4O4S
Exact Mass 572.170511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID burNSiqU5P
Name isopropyl 2-({[5-(4-methoxyphenyl)-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/C28H27F3N4O4S/c1-14(2)39-27(37)24-18-10-5-15(3)11-21(18)40-26(24)33-25(36)20-13-23-32-19(16-6-8-17(38-4)9-7-16)12-22(28(29,30)31)35(23)34-20/h6-9,12-15H,5,10-11H2,1-4H3,(H,33,36)
InChIKey CQRHXVRBXNUSNZ-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3589
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/8095170; UBI_ID: UBI-003590
Temperature 308 °C