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{2-bromo-6-chloro-4-[(1E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]phenoxy}acetic acid
SpectraBase Compound ID 5TpqXJKQtoR
InChI InChI=1S/C18H11BrCl2N2O4/c19-14-6-10(7-15(21)17(14)27-9-16(24)25)5-11(8-22)18(26)23-13-3-1-12(20)2-4-13/h1-7H,9H2,(H,23,26)(H,24,25)/b11-5+
InChIKey JYSULVJSSQEDBI-VZUCSPMQSA-N
Mol Weight 470.11 g/mol
Molecular Formula C18H11BrCl2N2O4
Exact Mass 467.927925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JN9kBVF5e0C
Name {2-bromo-6-chloro-4-[(1E)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]phenoxy}acetic 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/C18H11BrCl2N2O4/c19-14-6-10(7-15(21)17(14)27-9-16(24)25)5-11(8-22)18(26)23-13-3-1-12(20)2-4-13/h1-7H,9H2,(H,23,26)(H,24,25)/b11-5+
InChIKey JYSULVJSSQEDBI-VZUCSPMQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11851
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: 1003046; UBI_ID: UBI-011854
Synonyms {2-bromo-6-chloro-4-[3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]phenoxy}acetic acid
Temperature 318 °C