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2-{[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N,N-diphenylacetamide
SpectraBase Compound ID 44qaclISv6Q
InChI InChI=1S/C22H16F3N3OS/c1-15-12-19(22(23,24)25)27-21(18(15)13-26)30-14-20(29)28(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,14H2,1H3
InChIKey BTDDHIXPVMJUTL-UHFFFAOYSA-N
Mol Weight 427.45 g/mol
Molecular Formula C22H16F3N3OS
Exact Mass 427.096618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5byT0iSKYyp
Name 2-{[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N,N-diphenylacetamide
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/C22H16F3N3OS/c1-15-12-19(22(23,24)25)27-21(18(15)13-26)30-14-20(29)28(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,14H2,1H3
InChIKey BTDDHIXPVMJUTL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4821
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: NMR/10301574; Labnumber: FNG-0000208; IOH_ID: IOH-004822