4-{5-[(1Z)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-furyl}benzoic acid

SpectraBase Compound ID	5xYgBDdJsJN
InChI	InChI=1S/C22H16N2O4/c1-14-4-2-3-5-19(14)24-21(25)17(13-23)12-18-10-11-20(28-18)15-6-8-16(9-7-15)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b17-12-
InChIKey	KAYIEUYYHCDPIP-ATVHPVEESA-N Google Search
Mol Weight	372.38 g/mol
Molecular Formula	C22H16N2O4
Exact Mass	372.111007 g/mol

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SpectraBase Spectrum ID	3dWd6RMReAT
Name	4-{5-[(1Z)-2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-furyl}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/C22H16N2O4/c1-14-4-2-3-5-19(14)24-21(25)17(13-23)12-18-10-11-20(28-18)15-6-8-16(9-7-15)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b17-12-
InChIKey	KAYIEUYYHCDPIP-ATVHPVEESA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9375
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: 133324; Labnumber: AREF2K-0185; VK_ID: VK-009379
Synonyms	4-{5-[2-cyano-3-oxo-3-(2-toluidino)-1-propenyl]-2-furyl}benzoic acid
Temperature	308 °C