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2-({[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-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID FljvJV8xtDa
InChI InChI=1S/C17H19F3N4O2S/c1-9-7-12(17(18,19)20)23-24(9)8-13(25)22-16-14(15(21)26)10-5-3-2-4-6-11(10)27-16/h7H,2-6,8H2,1H3,(H2,21,26)(H,22,25)
InChIKey HTKYHCXBMBGODI-UHFFFAOYSA-N
Mol Weight 400.42 g/mol
Molecular Formula C17H19F3N4O2S
Exact Mass 400.118082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HNg3xyM2CqC
Name 2-({[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/C17H19F3N4O2S/c1-9-7-12(17(18,19)20)23-24(9)8-13(25)22-16-14(15(21)26)10-5-3-2-4-6-11(10)27-16/h7H,2-6,8H2,1H3,(H2,21,26)(H,22,25)
InChIKey HTKYHCXBMBGODI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16299
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/8096472; UBI_ID: UBI-016302
Temperature 313 °C