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

*Links on SpectraBase are not permalinks.
4-(5-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid
SpectraBase Compound ID 8v5IkbRNp1e
InChI InChI=1S/C22H12ClF3N2O4/c23-17-7-5-15(22(24,25)26)10-18(17)28-20(29)14(11-27)9-16-6-8-19(32-16)12-1-3-13(4-2-12)21(30)31/h1-10H,(H,28,29)(H,30,31)/b14-9+
InChIKey GYVBLQHAUFXCRI-NTEUORMPSA-N
Mol Weight 460.8 g/mol
Molecular Formula C22H12ClF3N2O4
Exact Mass 460.043769 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 IVVh9GKM5c9
Name 4-(5-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid
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/C22H12ClF3N2O4/c23-17-7-5-15(22(24,25)26)10-18(17)28-20(29)14(11-27)9-16-6-8-19(32-16)12-1-3-13(4-2-12)21(30)31/h1-10H,(H,28,29)(H,30,31)/b14-9+
InChIKey GYVBLQHAUFXCRI-NTEUORMPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9042
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: 1001724; UBI_ID: UBI-009045
Synonyms 4-(5-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-furyl)benzoic acid
Temperature 313 °C