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ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IvvWiOYmGdY
InChI InChI=1S/C22H27BrF3N3O3S/c1-6-32-20(31)16-13-8-7-12(21(3,4)5)9-14(13)33-19(16)27-15(30)10-29-11(2)17(23)18(28-29)22(24,25)26/h12H,6-10H2,1-5H3,(H,27,30)
InChIKey JXKHNUZVTIYZMX-UHFFFAOYSA-N
Mol Weight 550.44 g/mol
Molecular Formula C22H27BrF3N3O3S
Exact Mass 549.09086 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8rr1675rsRH
Name ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-6-tert-butyl-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/C22H27BrF3N3O3S/c1-6-32-20(31)16-13-8-7-12(21(3,4)5)9-14(13)33-19(16)27-15(30)10-29-11(2)17(23)18(28-29)22(24,25)26/h12H,6-10H2,1-5H3,(H,27,30)
InChIKey JXKHNUZVTIYZMX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9557
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/8074049; Labnumber: IDV-0004326; UZI_ID: UZI-009559
Temperature 318 °C