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acetamide, 2-[[3-cyano-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methylphenyl)-
SpectraBase Compound ID JaWjM2W6S7X
InChI InChI=1S/C21H14F3N3O2S2/c1-12-4-6-14(7-5-12)26-17(28)11-31-20-13(10-25)9-15(19(27-20)21(22,23)24)18(29)16-3-2-8-30-16/h2-9H,11H2,1H3,(H,26,28)
InChIKey SMKUDUIHMPNUQC-UHFFFAOYSA-N
Mol Weight 461.48 g/mol
Molecular Formula C21H14F3N3O2S2
Exact Mass 461.047954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LkGWmJE53Y
Name acetamide, 2-[[3-cyano-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methylphenyl)-
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/C21H14F3N3O2S2/c1-12-4-6-14(7-5-12)26-17(28)11-31-20-13(10-25)9-15(19(27-20)21(22,23)24)18(29)16-3-2-8-30-16/h2-9H,11H2,1H3,(H,26,28)
InChIKey SMKUDUIHMPNUQC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2229
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: F14571; Labnumber: SHEL-S0837-0059