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6-(4-methoxyphenyl)-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID FIQTxVrdf3Y
InChI InChI=1S/C23H19F3N2O3S2/c1-15-3-9-18(10-4-15)33(29,30)12-11-32-22-19(14-27)20(23(24,25)26)13-21(28-22)16-5-7-17(31-2)8-6-16/h3-10,13H,11-12H2,1-2H3
InChIKey LIDALEPHRJBCMM-UHFFFAOYSA-N
Mol Weight 492.53 g/mol
Molecular Formula C23H19F3N2O3S2
Exact Mass 492.078919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 895Pwho4x6R
Name 6-(4-methoxyphenyl)-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)-4-(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/C23H19F3N2O3S2/c1-15-3-9-18(10-4-15)33(29,30)12-11-32-22-19(14-27)20(23(24,25)26)13-21(28-22)16-5-7-17(31-2)8-6-16/h3-10,13H,11-12H2,1-2H3
InChIKey LIDALEPHRJBCMM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9753
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: D60478; Labnumber: SHES3-0147; SBI_ID: SBI-009756
Temperature 308 °C