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4-methyl-2-[(4-methylbenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID FYx3e5UFtxk
InChI InChI=1S/C16H13F3N2S/c1-10-3-5-12(6-4-10)9-22-15-13(8-20)11(2)7-14(21-15)16(17,18)19/h3-7H,9H2,1-2H3
InChIKey CYKPERKKWWKGPN-UHFFFAOYSA-N
Mol Weight 322.35 g/mol
Molecular Formula C16H13F3N2S
Exact Mass 322.075154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8T6BeY1D2cW
Name 4-methyl-2-[(4-methylbenzyl)sulfanyl]-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/C16H13F3N2S/c1-10-3-5-12(6-4-10)9-22-15-13(8-20)11(2)7-14(21-15)16(17,18)19/h3-7H,9H2,1-2H3
InChIKey CYKPERKKWWKGPN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12484
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/9122517; UBI_ID: UBI-012487
Temperature 308 °C