For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}phenyl 4-methoxybenzoate
SpectraBase Compound ID 38mcQLVcfbv
InChI InChI=1S/C25H16ClF3N2O4/c1-34-19-8-5-16(6-9-19)24(33)35-20-4-2-3-15(12-20)11-17(14-30)23(32)31-22-13-18(25(27,28)29)7-10-21(22)26/h2-13H,1H3,(H,31,32)/b17-11+
InChIKey OJMNNDDWHPAOCJ-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JqnfXxwpsu2
Name 3-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}phenyl 4-methoxybenzoate
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/c1-34-19-8-5-16(6-9-19)24(33)35-20-4-2-3-15(12-20)11-17(14-30)23(32)31-22-13-18(25(27,28)29)7-10-21(22)26/h2-13H,1H3,(H,31,32)/b17-11+
InChIKey OJMNNDDWHPAOCJ-GZTJUZNOSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9045
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: 1000722; UBI_ID: UBI-009048
Synonyms 3-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}phenyl 4-methoxybenzoate
Temperature 313 °C