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3-{5-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-furyl}-4-methylbenzoic acid
SpectraBase Compound ID AjyxM457q3L
InChI InChI=1S/C23H18N2O4/c1-14-7-8-16(23(27)28)12-19(14)21-10-9-18(29-21)11-17(13-24)22(26)25-20-6-4-3-5-15(20)2/h3-12H,1-2H3,(H,25,26)(H,27,28)/b17-11+
InChIKey BMJFQNNKXKYOQP-GZTJUZNOSA-N
Mol Weight 386.41 g/mol
Molecular Formula C23H18N2O4
Exact Mass 386.126657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A9Cr2QY44AJ
Name 3-{5-[(1E)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-furyl}-4-methylbenzoic 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/C23H18N2O4/c1-14-7-8-16(23(27)28)12-19(14)21-10-9-18(29-21)11-17(13-24)22(26)25-20-6-4-3-5-15(20)2/h3-12H,1-2H3,(H,25,26)(H,27,28)/b17-11+
InChIKey BMJFQNNKXKYOQP-GZTJUZNOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11835
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: 1003391; UBI_ID: UBI-011838
Synonyms 3-{5-[2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-furyl}-4-methylbenzoic acid
Temperature 318 °C