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

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methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4qE1Y5eYdXd
InChI InChI=1S/C17H17BrF3N3O3S/c1-8-13(18)14(17(19,20)21)23-24(8)7-11(25)22-15-12(16(26)27-2)9-5-3-4-6-10(9)28-15/h3-7H2,1-2H3,(H,22,25)
InChIKey ZTHQERKOHFCJRC-UHFFFAOYSA-N
Mol Weight 480.3 g/mol
Molecular Formula C17H17BrF3N3O3S
Exact Mass 479.01261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lrm4LhBOI18
Name methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}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/C17H17BrF3N3O3S/c1-8-13(18)14(17(19,20)21)23-24(8)7-11(25)22-15-12(16(26)27-2)9-5-3-4-6-10(9)28-15/h3-7H2,1-2H3,(H,22,25)
InChIKey ZTHQERKOHFCJRC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15894
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/8050104; UBI_ID: UBI-015897
Temperature 308 °C