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2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID A8PqxPkV373
InChI InChI=1S/C20H16F3N5O3S/c1-11-18(28(29)30)12(2)27(26-11)10-32-19-16(9-24)15(8-17(25-19)20(21,22)23)13-4-6-14(31-3)7-5-13/h4-8H,10H2,1-3H3
InChIKey YWJQNXGMNYRFON-UHFFFAOYSA-N
Mol Weight 463.44 g/mol
Molecular Formula C20H16F3N5O3S
Exact Mass 463.092595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FUI87TMnyT8
Name 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
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/C20H16F3N5O3S/c1-11-18(28(29)30)12(2)27(26-11)10-32-19-16(9-24)15(8-17(25-19)20(21,22)23)13-4-6-14(31-3)7-5-13/h4-8H,10H2,1-3H3
InChIKey YWJQNXGMNYRFON-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16611
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/1265381; Labnumber: OLG0978; UZI_ID: UZI-016615
Temperature 308 °C