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3-pyridinecarbonitrile, 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-
SpectraBase Compound ID CxmHAf9yAwZ
InChI InChI=1S/C21H13F3N2O2S2/c1-12-4-6-13(7-5-12)16(27)11-30-20-14(10-25)9-15(19(26-20)21(22,23)24)18(28)17-3-2-8-29-17/h2-9H,11H2,1H3
InChIKey RYXSNKQZXKZPBH-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C21H13F3N2O2S2
Exact Mass 446.037055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6mhUPJSqMD0
Name 3-pyridinecarbonitrile, 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-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/C21H13F3N2O2S2/c1-12-4-6-13(7-5-12)16(27)11-30-20-14(10-25)9-15(19(26-20)21(22,23)24)18(28)17-3-2-8-29-17/h2-9H,11H2,1H3
InChIKey RYXSNKQZXKZPBH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2224
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: F14566; Labnumber: SHEL-S0837-0054