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3-pyridinecarbonitrile, 2-(butylthio)-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-

View entire compound with spectra: 1 NMR

3-pyridinecarbonitrile, 2-(butylthio)-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-
SpectraBase Compound ID KiPi1lZaHa6
InChI InChI=1S/C16H13F3N2OS2/c1-2-3-6-24-15-10(9-20)8-11(14(21-15)16(17,18)19)13(22)12-5-4-7-23-12/h4-5,7-8H,2-3,6H2,1H3
InChIKey HHDBUFMQHQZQKN-UHFFFAOYSA-N
Mol Weight 370.41 g/mol
Molecular Formula C16H13F3N2OS2
Exact Mass 370.04214 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3LPMIA6nlHw
Name 3-pyridinecarbonitrile, 2-(butylthio)-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-
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/C16H13F3N2OS2/c1-2-3-6-24-15-10(9-20)8-11(14(21-15)16(17,18)19)13(22)12-5-4-7-23-12/h4-5,7-8H,2-3,6H2,1H3
InChIKey HHDBUFMQHQZQKN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1737
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: ZI/8173581; Labnumber: IBM-yar0045
Temperature 303 °C