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1-{2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}hexahydro-1H-azepine
SpectraBase Compound ID HtjUSiPu9y8
InChI InChI=1S/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)19-21(9)10(2)13(22)20-7-5-3-4-6-8-20/h10H,3-8H2,1-2H3
InChIKey PGXUETIPJBHUBQ-UHFFFAOYSA-N
Mol Weight 337.77 g/mol
Molecular Formula C14H19ClF3N3O
Exact Mass 337.116874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A43jVXjfZnO
Name 1-{2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}hexahydro-1H-azepine
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/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)19-21(9)10(2)13(22)20-7-5-3-4-6-8-20/h10H,3-8H2,1-2H3
InChIKey PGXUETIPJBHUBQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1342
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/1194397; Labnumber: AC-NHALL/1271470; UZI_ID: UZI-001344
Temperature 308 °C