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ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID KGzQL4wHoEU
InChI InChI=1S/C19H21BrF3N3O3S/c1-3-29-18(28)14-11-7-5-4-6-8-12(11)30-17(14)24-13(27)9-26-10(2)15(20)16(25-26)19(21,22)23/h3-9H2,1-2H3,(H,24,27)
InChIKey TUBPTLKUKOGQPV-UHFFFAOYSA-N
Mol Weight 508.35 g/mol
Molecular Formula C19H21BrF3N3O3S
Exact Mass 507.04391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BWevJwBceUm
Name ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C19H21BrF3N3O3S/c1-3-29-18(28)14-11-7-5-4-6-8-12(11)30-17(14)24-13(27)9-26-10(2)15(20)16(25-26)19(21,22)23/h3-9H2,1-2H3,(H,24,27)
InChIKey TUBPTLKUKOGQPV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9561
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/8104241; Labnumber: IDV-0004349; UZI_ID: UZI-009563
Temperature 318 °C