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4-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
SpectraBase Compound ID EJulnkATTes
InChI InChI=1S/C25H16ClF3N2O4/c1-34-22-12-15(7-10-21(22)35-24(33)16-5-3-2-4-6-16)11-17(14-30)23(32)31-20-13-18(25(27,28)29)8-9-19(20)26/h2-13H,1H3,(H,31,32)/b17-11+
InChIKey MKDOXTDCPADCOF-GZTJUZNOSA-N
Mol Weight 500.86 g/mol
Molecular Formula C25H16ClF3N2O4
Exact Mass 500.075069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5V9r0b153xS
Name 4-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
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/C25H16ClF3N2O4/c1-34-22-12-15(7-10-21(22)35-24(33)16-5-3-2-4-6-16)11-17(14-30)23(32)31-20-13-18(25(27,28)29)8-9-19(20)26/h2-13H,1H3,(H,31,32)/b17-11+
InChIKey MKDOXTDCPADCOF-GZTJUZNOSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8408
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: 9686602; UBI_ID: UBI-008411
Synonyms 4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
Temperature 308 °C