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{5-bromo-4-[(1Z)-2-cyano-3-(4-ethoxyanilino)-3-oxo-1-propenyl]-2-methoxyphenoxy}acetic acid
SpectraBase Compound ID BbxlZt6xSgg
InChI InChI=1S/C21H19BrN2O6/c1-3-29-16-6-4-15(5-7-16)24-21(27)14(11-23)8-13-9-18(28-2)19(10-17(13)22)30-12-20(25)26/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/b14-8-
InChIKey WXENIGCLPSTIAD-ZSOIEALJSA-N
Mol Weight 475.3 g/mol
Molecular Formula C21H19BrN2O6
Exact Mass 474.042649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JOaHL8m0545
Name {5-bromo-4-[(1Z)-2-cyano-3-(4-ethoxyanilino)-3-oxo-1-propenyl]-2-methoxyphenoxy}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/C21H19BrN2O6/c1-3-29-16-6-4-15(5-7-16)24-21(27)14(11-23)8-13-9-18(28-2)19(10-17(13)22)30-12-20(25)26/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/b14-8-
InChIKey WXENIGCLPSTIAD-ZSOIEALJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2652
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/1009875; Labnumber: ARF2831; UZI_ID: UZI-002654
Synonyms {5-bromo-4-[2-cyano-3-(4-ethoxyanilino)-3-oxo-1-propenyl]-2-methoxyphenoxy}acetic acid
Temperature 318 °C