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6-(3-methoxyphenyl)-2-{[2-(4-morpholinyl)ethyl]sulfanyl}-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID 6UY9rb9TdJL
InChI InChI=1S/C20H20F3N3O2S/c1-27-15-4-2-3-14(11-15)18-12-17(20(21,22)23)16(13-24)19(25-18)29-10-7-26-5-8-28-9-6-26/h2-4,11-12H,5-10H2,1H3
InChIKey KKVJNXJQQPNLME-UHFFFAOYSA-N
Mol Weight 423.45 g/mol
Molecular Formula C20H20F3N3O2S
Exact Mass 423.122833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EatnmrfrzUg
Name 6-(3-methoxyphenyl)-2-{[2-(4-morpholinyl)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/C20H20F3N3O2S/c1-27-15-4-2-3-14(11-15)18-12-17(20(21,22)23)16(13-24)19(25-18)29-10-7-26-5-8-28-9-6-26/h2-4,11-12H,5-10H2,1H3
InChIKey KKVJNXJQQPNLME-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9759
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: D60484; Labnumber: SHES3-0158; SBI_ID: SBI-009762
Temperature 308 °C