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4-({4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID HKCeyOsvVqZ
InChI InChI=1S/C25H20N2O4/c1-17-3-2-4-22(13-17)27-24(28)21(15-26)14-18-7-11-23(12-8-18)31-16-19-5-9-20(10-6-19)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)/b21-14+
InChIKey XBVJZOSQKYKZKR-KGENOOAVSA-N
Mol Weight 412.45 g/mol
Molecular Formula C25H20N2O4
Exact Mass 412.142307 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BLob3dloqQ6
Name 4-({4-[(1E)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]phenoxy}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/C25H20N2O4/c1-17-3-2-4-22(13-17)27-24(28)21(15-26)14-18-7-11-23(12-8-18)31-16-19-5-9-20(10-6-19)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)/b21-14+
InChIKey XBVJZOSQKYKZKR-KGENOOAVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11829
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: 1003079; UBI_ID: UBI-011832
Synonyms 4-({4-[2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]phenoxy}methyl)benzoic acid
Temperature 318 °C