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2-{(1E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}-6-methoxyphenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 93HudWZjJCE
InChI InChI=1S/C25H19F3N2O5S/c1-16-10-12-19(13-11-16)36(32,33)35-23-17(6-5-9-22(23)34-2)14-18(15-29)24(31)30-21-8-4-3-7-20(21)25(26,27)28/h3-14H,1-2H3,(H,30,31)/b18-14+
InChIKey OEKUYGZCNBHQOP-NBVRZTHBSA-N
Mol Weight 516.49 g/mol
Molecular Formula C25H19F3N2O5S
Exact Mass 516.096677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4THATsZH9hk
Name 2-{(1E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}-6-methoxyphenyl 4-methylbenzenesulfonate
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/C25H19F3N2O5S/c1-16-10-12-19(13-11-16)36(32,33)35-23-17(6-5-9-22(23)34-2)14-18(15-29)24(31)30-21-8-4-3-7-20(21)25(26,27)28/h3-14H,1-2H3,(H,30,31)/b18-14+
InChIKey OEKUYGZCNBHQOP-NBVRZTHBSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2703
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: UZI/1009635; Labnumber: ARF3150; UZI_ID: UZI-002705
Synonyms 2-{2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}-6-methoxyphenyl 4-methylbenzenesulfonate
Temperature 308 °C