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1H-pyrazole-4-carboxamide, N-[2-[[4-(1,1-dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-1,3-diphenyl-
SpectraBase Compound ID 5CSY90eKeYv
InChI InChI=1S/C27H26F3N5OS/c1-26(2,3)21-16-22(27(28,29)30)33-25(32-21)37-15-14-31-24(36)20-17-35(19-12-8-5-9-13-19)34-23(20)18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3,(H,31,36)
InChIKey JHKOLZZBHZAITJ-UHFFFAOYSA-N
Mol Weight 525.59 g/mol
Molecular Formula C27H26F3N5OS
Exact Mass 525.181016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4LMBV1l8hl5
Name 1H-pyrazole-4-carboxamide, N-[2-[[4-(1,1-dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-1,3-diphenyl-
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/C27H26F3N5OS/c1-26(2,3)21-16-22(27(28,29)30)33-25(32-21)37-15-14-31-24(36)20-17-35(19-12-8-5-9-13-19)34-23(20)18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3,(H,31,36)
InChIKey JHKOLZZBHZAITJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7933
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: NMR/11210087; Labnumber: DAL-1011607