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2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide

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2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
SpectraBase Compound ID 93xXkJiQKgb
InChI InChI=1S/C17H16ClF3N4OS/c1-8-3-4-10-11(6-22)16(27-12(10)5-8)23-13(26)7-25-9(2)14(18)15(24-25)17(19,20)21/h8H,3-5,7H2,1-2H3,(H,23,26)
InChIKey DDUNGHNYXCCRLE-UHFFFAOYSA-N
Mol Weight 416.85 g/mol
Molecular Formula C17H16ClF3N4OS
Exact Mass 416.068545 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EwbHSJjsz5A
Name 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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/C17H16ClF3N4OS/c1-8-3-4-10-11(6-22)16(27-12(10)5-8)23-13(26)7-25-9(2)14(18)15(24-25)17(19,20)21/h8H,3-5,7H2,1-2H3,(H,23,26)
InChIKey DDUNGHNYXCCRLE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18770
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/9155839; Labnumber: UGB-0020056; UZI_ID: UZI-018777
Temperature 318 °C