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

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2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID Eth0R5FvZyp
InChI InChI=1S/C17H18BrF3N4O2S/c1-8-13(18)14(17(19,20)21)24-25(8)7-11(26)23-16-12(15(22)27)9-5-3-2-4-6-10(9)28-16/h2-7H2,1H3,(H2,22,27)(H,23,26)
InChIKey UPQRYALEHKYIMS-UHFFFAOYSA-N
Mol Weight 479.32 g/mol
Molecular Formula C17H18BrF3N4O2S
Exact Mass 478.028594 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Iz9829uqdk
Name 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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/C17H18BrF3N4O2S/c1-8-13(18)14(17(19,20)21)24-25(8)7-11(26)23-16-12(15(22)27)9-5-3-2-4-6-10(9)28-16/h2-7H2,1H3,(H2,22,27)(H,23,26)
InChIKey UPQRYALEHKYIMS-UHFFFAOYSA-N
NMR Offset 15.4978
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3660
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/8101122; UBI_ID: UBI-003661
Temperature 315 °C