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

View entire compound with spectra: 1 NMR

methyl 6-tert-butyl-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 5qqdZr1XRPj
InChI InChI=1S/C28H27F3N4O3S/c1-27(2,3)16-10-11-17-20(12-16)39-25(22(17)26(37)38-4)34-24(36)18-14-32-35-21(28(29,30)31)13-19(33-23(18)35)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,34,36)
InChIKey ZBOXREDUDPXPGG-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C28H27F3N4O3S
Exact Mass 556.175596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GwdCoXjZVh9
Name methyl 6-tert-butyl-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/C28H27F3N4O3S/c1-27(2,3)16-10-11-17-20(12-16)39-25(22(17)26(37)38-4)34-24(36)18-14-32-35-21(28(29,30)31)13-19(33-23(18)35)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,34,36)
InChIKey ZBOXREDUDPXPGG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9565
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/8052436; Labnumber: IDV-0004544; UZI_ID: UZI-009567
Temperature 318 °C