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

SpectraBase Compound ID	IP14atle4Uc
InChI	InChI=1S/C22H16N2O5/c1-28-18-7-5-17(6-8-18)24-21(25)16(13-23)12-19-9-10-20(29-19)14-3-2-4-15(11-14)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b16-12+
InChIKey	SRNDVCCEQXJMTA-FOWTUZBSSA-N Google Search
Mol Weight	388.38 g/mol
Molecular Formula	C22H16N2O5
Exact Mass	388.105922 g/mol

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SpectraBase Spectrum ID	4mxjCWfGPs0
Name	3-{5-[(1E)-2-cyano-3-(4-methoxyanilino)-3-oxo-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/C22H16N2O5/c1-28-18-7-5-17(6-8-18)24-21(25)16(13-23)12-19-9-10-20(29-19)14-3-2-4-15(11-14)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b16-12+
InChIKey	SRNDVCCEQXJMTA-FOWTUZBSSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9377
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: 133326; Labnumber: AREF2K-0234; VK_ID: VK-009381
Synonyms	3-{5-[2-cyano-3-(4-methoxyanilino)-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature	308 °C