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

SpectraBase Compound ID	JU0D6K2vysg
InChI	InChI=1S/C22H15ClN2O4/c1-13-18(3-2-4-19(13)22(27)28)20-10-9-17(29-20)11-14(12-24)21(26)25-16-7-5-15(23)6-8-16/h2-11H,1H3,(H,25,26)(H,27,28)/b14-11-
InChIKey	GEZHAWNDLGPFRZ-KAMYIIQDSA-N Google Search
Mol Weight	406.83 g/mol
Molecular Formula	C22H15ClN2O4
Exact Mass	406.072035 g/mol

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SpectraBase Spectrum ID	KVKhrHiPBdH
Name	3-{5-[(1Z)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-2-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/C22H15ClN2O4/c1-13-18(3-2-4-19(13)22(27)28)20-10-9-17(29-20)11-14(12-24)21(26)25-16-7-5-15(23)6-8-16/h2-11H,1H3,(H,25,26)(H,27,28)/b14-11-
InChIKey	GEZHAWNDLGPFRZ-KAMYIIQDSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UZI_26187_2781
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/1011328; Labnumber: ARF3736; UZI_ID: UZI-002783
Synonyms	3-{5-[3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-2-methylbenzoic acid
Temperature	300 °C