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(2E)-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-3-{2-[(trifluoromethyl)sulfanyl]anilino}-2-propenenitrile
SpectraBase Compound ID KjCxa8EZ37I
InChI InChI=1S/C23H20F3N3S2/c1-15(2)11-16-7-9-17(10-8-16)20-14-30-22(29-20)18(12-27)13-28-19-5-3-4-6-21(19)31-23(24,25)26/h3-10,13-15,28H,11H2,1-2H3/b18-13+
InChIKey HMICAIJVUAXVSC-QGOAFFKASA-N
Mol Weight 459.55 g/mol
Molecular Formula C23H20F3N3S2
Exact Mass 459.105074 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID COJ5AmN4kX9
Name (2E)-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-3-{2-[(trifluoromethyl)sulfanyl]anilino}-2-propenenitrile
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/C23H20F3N3S2/c1-15(2)11-16-7-9-17(10-8-16)20-14-30-22(29-20)18(12-27)13-28-19-5-3-4-6-21(19)31-23(24,25)26/h3-10,13-15,28H,11H2,1-2H3/b18-13+
InChIKey HMICAIJVUAXVSC-QGOAFFKASA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4762
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: 121547; Labnumber: ULGAP-11-1421; VK_ID: VK-004763
Synonyms 2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-3-{2-[(trifluoromethyl)sulfanyl]anilino}-2-propenenitrile
Temperature 315 °C