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{4-[(1Z)-3-(benzylamino)-2-cyano-3-oxo-1-propenyl]-2-chloro-6-methoxyphenoxy}acetic acid
SpectraBase Compound ID E2hH2NycMQf
InChI InChI=1S/C20H17ClN2O5/c1-27-17-9-14(8-16(21)19(17)28-12-18(24)25)7-15(10-22)20(26)23-11-13-5-3-2-4-6-13/h2-9H,11-12H2,1H3,(H,23,26)(H,24,25)/b15-7-
InChIKey MJLIKDYPLUZAGI-CHHVJCJISA-N
Mol Weight 400.82 g/mol
Molecular Formula C20H17ClN2O5
Exact Mass 400.082599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKLDhb1UpTD
Name {4-[(1Z)-3-(benzylamino)-2-cyano-3-oxo-1-propenyl]-2-chloro-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/C20H17ClN2O5/c1-27-17-9-14(8-16(21)19(17)28-12-18(24)25)7-15(10-22)20(26)23-11-13-5-3-2-4-6-13/h2-9H,11-12H2,1H3,(H,23,26)(H,24,25)/b15-7-
InChIKey MJLIKDYPLUZAGI-CHHVJCJISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2576
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/9685206; Labnumber: ARF-54ST1/1820; UZI_ID: UZI-002578
Synonyms {4-[3-(benzylamino)-2-cyano-3-oxo-1-propenyl]-2-chloro-6-methoxyphenoxy}acetic acid
Temperature 315 °C