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2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID 2uUsBxdE5cy
InChI InChI=1S/C17H10F3N5O2S/c18-17(19,20)15-6-13(11-4-2-1-3-5-11)14(7-21)16(23-15)28-10-24-9-12(8-22-24)25(26)27/h1-6,8-9H,10H2
InChIKey SFMPKRMGNWHSJR-UHFFFAOYSA-N
Mol Weight 405.36 g/mol
Molecular Formula C17H10F3N5O2S
Exact Mass 405.05073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9MQJ1ptDQk
Name 2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-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/C17H10F3N5O2S/c18-17(19,20)15-6-13(11-4-2-1-3-5-11)14(7-21)16(23-15)28-10-24-9-12(8-22-24)25(26)27/h1-6,8-9H,10H2
InChIKey SFMPKRMGNWHSJR-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16605
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1262417; Labnumber: OLG0970; UZI_ID: UZI-016609
Temperature 318 °C