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5-{(1Z)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 4-methylbenzoate
SpectraBase Compound ID 99ghcw5un7i
InChI InChI=1S/C26H18ClF3N2O4/c1-15-3-6-17(7-4-15)25(34)36-23-12-16(5-10-22(23)35-2)11-18(14-31)24(33)32-21-13-19(26(28,29)30)8-9-20(21)27/h3-13H,1-2H3,(H,32,33)/b18-11-
InChIKey RRIJBYLDTRKKGO-WQRHYEAKSA-N
Mol Weight 514.89 g/mol
Molecular Formula C26H18ClF3N2O4
Exact Mass 514.090719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEydJvijR0L
Name 5-{(1Z)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 4-methylbenzoate
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/C26H18ClF3N2O4/c1-15-3-6-17(7-4-15)25(34)36-23-12-16(5-10-22(23)35-2)11-18(14-31)24(33)32-21-13-19(26(28,29)30)8-9-20(21)27/h3-13H,1-2H3,(H,32,33)/b18-11-
InChIKey RRIJBYLDTRKKGO-WQRHYEAKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6608
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: 62990; UBI_ID: UBI-006610
Synonyms 5-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 4-methylbenzoate
Temperature 318 °C