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2-{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}-4-methyl-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID 4oixQVWaDrn
InChI InChI=1S/C12H8BrF3N4S/c1-7-2-10(12(14,15)16)19-11(9(7)3-17)21-6-20-5-8(13)4-18-20/h2,4-5H,6H2,1H3
InChIKey QXHHGAKGXFXUAL-UHFFFAOYSA-N
Mol Weight 377.18 g/mol
Molecular Formula C12H8BrF3N4S
Exact Mass 375.960515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HkHGQVZkhSG
Name 2-{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}-4-methyl-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/C12H8BrF3N4S/c1-7-2-10(12(14,15)16)19-11(9(7)3-17)21-6-20-5-8(13)4-18-20/h2,4-5H,6H2,1H3
InChIKey QXHHGAKGXFXUAL-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16584
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/1264650; Labnumber: OLG0939; UZI_ID: UZI-016588
Temperature 318 °C