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4-({2-chloro-4-[(1E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-6-methoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID AFqdRqm7WfL
InChI InChI=1S/C25H18Cl2N2O5/c1-33-22-12-16(10-18(13-28)24(30)29-20-8-6-19(26)7-9-20)11-21(27)23(22)34-14-15-2-4-17(5-3-15)25(31)32/h2-12H,14H2,1H3,(H,29,30)(H,31,32)/b18-10+
InChIKey HZFAWMWKBZHXRK-VCHYOVAHSA-N
Mol Weight 497.33 g/mol
Molecular Formula C25H18Cl2N2O5
Exact Mass 496.059277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Z92saPsvje
Name 4-({2-chloro-4-[(1E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-6-methoxyphenoxy}methyl)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/C25H18Cl2N2O5/c1-33-22-12-16(10-18(13-28)24(30)29-20-8-6-19(26)7-9-20)11-21(27)23(22)34-14-15-2-4-17(5-3-15)25(31)32/h2-12H,14H2,1H3,(H,29,30)(H,31,32)/b18-10+
InChIKey HZFAWMWKBZHXRK-VCHYOVAHSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_2780
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: UZI/1010818; Labnumber: ARF3735; UZI_ID: UZI-002782
Synonyms 4-({2-chloro-4-[3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-6-methoxyphenoxy}methyl)benzoic acid
Temperature 300 °C