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2-{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID EhPhFNfE9C7
InChI InChI=1S/C17H10BrF3N4S/c18-12-8-23-25(9-12)10-26-16-14(7-22)13(11-4-2-1-3-5-11)6-15(24-16)17(19,20)21/h1-6,8-9H,10H2
InChIKey JXRHJALAOHEHFZ-UHFFFAOYSA-N
Mol Weight 439.25 g/mol
Molecular Formula C17H10BrF3N4S
Exact Mass 437.976165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2DaZVH4VgtS
Name 2-{[(4-bromo-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/C17H10BrF3N4S/c18-12-8-23-25(9-12)10-26-16-14(7-22)13(11-4-2-1-3-5-11)6-15(24-16)17(19,20)21/h1-6,8-9H,10H2
InChIKey JXRHJALAOHEHFZ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16588
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/1264732; Labnumber: OLG0943; UZI_ID: UZI-016592
Temperature 306 °C