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N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

View entire compound with spectra: 1 NMR

N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SpectraBase Compound ID C6O7zojzlwU
InChI InChI=1S/C20H23F3N4OS/c1-5-19(2,3)11-6-7-12-13(10-24)18(29-15(12)8-11)25-17(28)14-9-16(20(21,22)23)26-27(14)4/h9,11H,5-8H2,1-4H3,(H,25,28)
InChIKey GURQFCVFVJGOBA-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C20H23F3N4OS
Exact Mass 424.154467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJ72I7mRa8q
Name N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-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/C20H23F3N4OS/c1-5-19(2,3)11-6-7-12-13(10-24)18(29-15(12)8-11)25-17(28)14-9-16(20(21,22)23)26-27(14)4/h9,11H,5-8H2,1-4H3,(H,25,28)
InChIKey GURQFCVFVJGOBA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13460
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/9136728; UBI_ID: UBI-013463
Temperature 318 °C