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{2-bromo-4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-6-methoxyphenoxy}acetic acid

View entire compound with spectra: 1 NMR

{2-bromo-4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-6-methoxyphenoxy}acetic acid
SpectraBase Compound ID FYcfy0Tdwb3
InChI InChI=1S/C20H17BrN2O5/c1-12-4-3-5-15(6-12)23-20(26)14(10-22)7-13-8-16(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+
InChIKey YUAGVXHAKGVQFR-VGOFMYFVSA-N
Mol Weight 445.27 g/mol
Molecular Formula C20H17BrN2O5
Exact Mass 444.032085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IE6vy3AZ7lv
Name {2-bromo-4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-6-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/C20H17BrN2O5/c1-12-4-3-5-15(6-12)23-20(26)14(10-22)7-13-8-16(21)19(17(9-13)27-2)28-11-18(24)25/h3-9H,11H2,1-2H3,(H,23,26)(H,24,25)/b14-7+
InChIKey YUAGVXHAKGVQFR-VGOFMYFVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9413
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: 133372; Labnumber: AREF2K-0639; VK_ID: VK-009417
Synonyms {2-bromo-4-[2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-6-methoxyphenoxy}acetic acid
Temperature 318 °C