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4-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 3-fluorobenzoate
SpectraBase Compound ID 6LdaI5z6PPn
InChI InChI=1S/C25H15ClF4N2O4/c1-35-22-10-14(5-8-21(22)36-24(34)15-3-2-4-18(27)11-15)9-16(13-31)23(33)32-20-12-17(25(28,29)30)6-7-19(20)26/h2-12H,1H3,(H,32,33)/b16-9+
InChIKey YYFGLKZHZSRNOA-CXUHLZMHSA-N
Mol Weight 518.85 g/mol
Molecular Formula C25H15ClF4N2O4
Exact Mass 518.065647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YAVPpceWUS
Name 4-{(1E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 3-fluorobenzoate
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/C25H15ClF4N2O4/c1-35-22-10-14(5-8-21(22)36-24(34)15-3-2-4-18(27)11-15)9-16(13-31)23(33)32-20-12-17(25(28,29)30)6-7-19(20)26/h2-12H,1H3,(H,32,33)/b16-9+
InChIKey YYFGLKZHZSRNOA-CXUHLZMHSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9052
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: 1000603; UBI_ID: UBI-009055
Synonyms 4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-1-propenyl}-2-methoxyphenyl 3-fluorobenzoate
Temperature 313 °C